A branched hexasaccharide derivative consisting of a linear pentasaccharide unit of beta-D-galactose, alpha-D-galactose, beta-L-rhamnose, beta-D-glucose and N-acetyl-beta-D-galactosamine residues linked sequentially (1->2), (1->3), (1->4) and (1->3), to the N-acetylgalactosamine residue of which is also linked (1->4) an alpha-L-rhamnosyl residue, the whole linked glycosidically to a 5-aminopentyl group.


A linear tetrasaccharide derivative consisting of beta-D-galactose, alpha-D-galactose, beta-L-rhamnose and beta-D-glucose residues linked sequentially (1->2), (1->3) and (1->4), with the glucose residue linked glycosidically to a 5-aminopentyl group.


6-chloro-D-tryptophan zwitterion

An alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 6-chloro-D-tryptophan; major species at pH 7.3.


A linear trisaccharide derivative consisting of beta-D-galactose, alpha-D-galactose and beta-L-rhamnose residues linked sequentially (1->2) and (1->3) with the rhamnose residue linked glycosidically to a 5-aminopentyl group.


A branched tetrasaccharide derivative consisting of a linear trisaccharide unit of beta-L-rhamnose, beta-D-glucose and N-acetyl-beta-D-galactosamine residues linked sequentially (1->4) and (1->3), to the N-acetylgalactosamine residue of which is also linked (1->4) an alpha-L-rhamnosyl residue, the whole linked glycosidically to a 5-aminopentyl group.


A branched trisaccharide derivative consisting of a disaccharide unit of beta-D-glucose and N-acetyl-beta-D-galactosamine residues linked (1->3), to the N-acetylgalactosamine residue of which is also linked (1->4) an alpha-L-rhamnosyl residue, the whole linked glycosidically to a 5-aminopentyl group.


A linear trisaccharide derivative consisting of N-acetyl-alpha-D-glucosamine, alpha-L-rhamnose and N-acetyl-beta-D-galactosamine residues linked sequentially (1->2) and (1->4) with the N-acetylgalactosamine residue linked glycosidically to a 5-aminopentyl group.


A phosphatidylethanolamine with an alkyl chain of unspecified length at sn-1 and unspecified acyl chains at sn-2 and N-positions.


A D-alpha-amino acid that is 6-chlorotryptophan in which the chiral centre has D- (R-) configuration.


A tryptophan derivative that is tryptophan in which the hydrogen at position 6 of the indole ring has been replaced by a chlorine.


C-terminal boronic acid peptide

A member of the class of boronic acids that is any peptide in which the carboxy group at the C-terminus has been replaced by a borono (-B(OH)2) group.


A guanidinium ion resulting from the protonation of the guanidino group of Ac-(D)Phe-Pro-boroArg-OH. The major species at pH 7.3.


A monounsaturated fatty aldehyde consisting of tetradecenal in which the position of the C=C double bond is not defined and in which a hydrogen at position 13 has been replaced by a methyl group.


Major microspecies at pH 7.3


A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel.


A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as 12-hydroxy-(9Z)-octadecenoyl.


A 1,2-diacyl-sn-glycerol in which both acyl groups are specified as hexanoyl.


The S-enantiomer of 1,2-dihexanoyl-3-oleoylglycerol.


A metabolite of thioguanine, a drug used in cancer chemotherapy.


A GDP-hexose having 6-deoxy-alpha-D-altrose as the hexose component.


A N-arachidonoylphosphatidylethanolamine where the acyl chains at the sn-1 and sn-2 positions of the glycerol molecule are unspecified.


A carboxylic acid anion resulting from the deprotonation of the carboxy group of 3-acetamido-4-hydroxybenzoic acid. The major microspecies at pH 7.3.


A dialkyl phosphate having ethyl as the alkyl group; major microspecies at pH 7.3


An organophosphate oxoanion obtained by global deprotonation of the phosphate OH groups of (1->4)-3,6-bis(phospho)-alpha-D-glucan; major species at pH 7.3.


Any glycerophospholipid consisting of any 1-alkyl-sn-glycero-3-phosphoethanolamine in which one of the amino hydrogens has been replaced by an acyl group.


delta-cadinene

A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a).


name: heparan sulfate alpha-D-N-sulfoglucosamine polyanion

description: A carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate alpha-D-glucosaminide N-sulfate; major species at pH 7.3.


alpha-D-glucosyl-L-tyrosyl residue

An L-alpha-amino acid residue derived from alpha-D-glucosyl-L-tyrosine.


An L-alpha-amino acid residue derived from (1,4-alpha-D-glucosyl)(n)-L-tyrosine.


An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-beta-D-glucose-L-serine.


beta-D-glucose-L-seryl residue

An L-alpha-amino acid residue derived from beta-D-glucose-L-serine.


beta-D-glucosyl-L-threonyl residue

An L-alpha-amino acid residue derived from beta-D-glucose-L-threonine.


An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-beta-D-glucose-L-threonine.


ONALESPIB

A member of the class of isoindoles that is isoindole in which the amino group has been acylated by a 2,4-dihydroxy-5-isopropylbenzoyl group and in which position 5 of the isoidole moiety has been substituted by a (4-methylpiperazin-1-yl)methyl group. A second-generation Hsp90 inhibitor.


A glycerophospholipid obtained by formal condensation of the carboxy group of any carboxylic acid with the amino group of any 1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine.


ethanediol derivative

A substituted ethane carrying two hydroxy groups.


A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and oleoyl respectively.


Any cyanohydrin that is derived from an aliphatic aldehyde and has S-configuration.


disubstituted aliphatic (S)-cyanohydrin

Any cyanohydrin that is derived from an aliphatic ketone and has S-configuration.


An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-serine.


A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxy groups at positions 3 and 5 and hydroxy groups at positions 1 and 6.


An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-threonine.


fatty acid 4:0

Any saturated fatty acid containing 4 carbons.


3-acetamido-4-hydroxybenzoic acid

A monohydroxybenzoic acid that is 4-hydroxybenzoic acid in which the hydrogen at position 3 has been replaced by an acetamido group.


name: heparan sulfate alpha-D-glucosaminide 6-sulfate polyanion

description: A carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate alpha-D-glucosaminide 6-sulfate; major species at pH 7.3.


tetrahydrosulfopterin

pteridine coenzyme found in S. solfataricus


An L-alpha-amino acid residue derived from S-(ADP-D-ribosyl)-L-cysteine.


A member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 4'.


(8Z,11Z)-urushiol III

Catechol substituted at position 3 with an (8Z,11Z)-pentadeca-8,11-dien-1-yl group. Stereoisomer of urushiol III (CHEBI:9909) which has (8E,11E) configuration.


L,L-homocystine zwitterion

A homocystine zwitterion in which both stereocentres have L configuration.


cisatracurium

A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion  consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.  The active species in the skeletal muscle relaxant cisatracurium besylate.


A polysaccharide derivative comprising a trisaccharide repeating unit consisting of 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucose and two alpha-D-galacturonic acid residues linked sequentially (1->4) and (1->3) and with the trisaccharide repeats themselves being linked (1->3); corresponds to the serotype 1 capsular polysaccharide (CPS) of Streptococcus pneumoniae.


disialosyl Gb5(2-)

A globoside that is a renal cell carcinoma (RCC)-associated antigen which mediates adhesion of RCC TOS-1 cells to certain lung tissue target cells.


Major micropecies at pH 7.3


A ionic polymer obtained by global deprotonation of the phosphate OH groups of any RNA linked to an adenine ribonucleotide in 3'; major structure at pH 7.3.


A ionic polymer obtained by global deprotonation of the phosphate OH groups of any RNA linked to an uridine ribonucleotide in 3'; major structure at pH 7.3.


secnidazole

A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 2-hydroxypropyl and methyl groups, respectively.


dialurate

A barbiturate anion resulting from deprotonation of the carbon bearing the hydroxy group of dialuric acid. Major microspecies at pH 7.3


methyl 4-nitrobenzyl carbonate

A carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a 4-nitrobenzyl group.


4-nitrobenzyl hydrogen ethylphosphonate

A C-nitro compound that is ethylphosphonic acid esterified with (4-nitrophenyl)methanol; a phosphonate transition state analogue with affinity for catalytic antibody 7B9.


name: 5-methylaminomethyl-S-(2E)-geranyl-thiouridine 5'-monophosphate zwitterion residue

description: A zwitterionic group obtained by transfer of a proton from the amino to the phosphate group of 5-methylaminomethyl-S-(2E)-geranyl-thiouridine 5'-monophosphate residue; major microspecies at pH 7.3.


A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of 5-formyl-3-hydroxy-2-methylpyridine-4-carboxylic acid. The major species at pH 7.3.


A steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 12alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3.


A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3.


A steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 7beta-hydroxy-3-oxochol-24-oyl-CoA; major species at pH 7.3.


A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7beta-hydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3.


If you can find information about the stereoconfiguration of the second amino group, you are very welcome to add it.


A C-nitro compound that is 6-phosphonohexanoic acid in which the phosphono function is esterified with (4-nitrophenyl)methanol; a phosphonate transition state analogue with affinity for catalytic antibody 7B9.


An oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy trisaccharide units linked via a dithiodiethyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


An ionic polymer resulting from the deprotonation of the terminal carboxy groups of poly(2,5-ethylene furandicarboxylate) polymer. The structure of the conjugated acid CHEBI:55310 is not following the current format


paerucumarin

A hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7.


rhabduscin

An isocyanide that is the 4-acetamido-4,6-dideoxy-beta-L-galactopyranoside of p-[(E)-2-isocyanovinyl]phenol. Produced by the gram-negative insect pathogens, Xenorhabdus nematophila and Photorhabdus luminescens, it is a potent nanomolar-level inhibitor of phenoloxidase, a key component of the insect's innate immune system.


A 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has E (trans-) configuration.


An oligosaccharide derivative consisting of two [2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactosyloxy branched tetrasaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


An oligosaccharide derivative consisting of two alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy disaccharide units linked via a dithiodiethyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


A phenolate anion that is the conjugate base of 2,4-diacetylphloroglucinol, obtained by deprotonation of one of the two hydroxy groups at position 1 and 5. Major microspecies at pH 7.3.


An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the side-chain amino group of any N(2)-[(3R)-3-(2-saturated-acyloxy)acyl]-L-ornithine; major species at pH 7.3.


An oligosaccharide derivative consisting of two alpha-D-galacturonosyloxy monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


An oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyloxy ((2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactosyl) monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


An oligosaccharide derivative consisting of two 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactosyloxy monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).


A glycodihydroceramide having a 6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen; a C6"-modified alpha-GalCer derivative.


A glycophytoceramide having an 6-O-(3-phenylpropanoyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen; a C6"-modified alpha-GalCer derivative.


N-methyl-N-pentylnitrosamine

A nitrosamine that has methyl and pentyl substituents. It is a potent oesophageal carcinogen.


name: 3-hydroxyacyl derivative of bacterial toxin


A member of the class of carotenone that is echinenone carrying two additional hydroxy substituents at position 4'.


A beta-carotene carrying one additional hydroxy substituent at position 4.


A beta-carotene carrying two additional hydroxy substituents at position 4.


A glycopentaosylceramide having beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl as the glycopentaosyl component. It is a glycosphingolipid that has previously been used to identify cells with stem cell-like, multipotent, and pluripotent characteristics.


An omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 20-hydroxyicosanoic acid. The major species at pH 7.3.


19-hydroxyicosanoic acid

An (omega-1)-hydroxy fatty acid that is icosanoic acid (arachidic acid) in which a hydrogen at position 19 has been replaced by a hydroxy group.


An (omega-1)-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 19-hydroxyicosanoic acid. The major species at pH 7.3


An omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 21-hydroxyhenicosanoic acid. The major species at pH 7.3.


20-hydroxyhenicosanoic acid

An (omega-1)-hydroxy fatty acid that is henicosanoic acid in which one of the hydrogens at position 20 has been replaced by a hydroxy group.


An (omega-1)-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 20-hydroxyhenicosanoic acid. The major species at pH 7.3.


A 2-oxo monocarboxylic acid anion  obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinylpyruvic acid. Major microspecies at pH 7.3.


A sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonic acid with the primary amino group of piperidin-4-amine. An inhibitor of secreted Frizzled-Related Protein-1 (sFRP-1).


clarinoside

A naphthopyran that is 1H-naphtho[2,3-c]pyran-5,10-diol in which the hydroxy group at position 5 (furthest from the pyran oxygen) has been converted to the corresponding beta-D-glucoside, while that at position 10 has been converted to the corresponding 6-deoxy-beta-D-glucopyranoside (beta-D-quinovoside). It was isolated from the flowered aerial parts of the annual plant Mitracarpus scaber.


A (2R)-2-hydroxy monocarboxylic acid anion that is the conjugate base of 3-mercaptolactic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3.


A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 7-methyloctanoic acid.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 7-methyloctanoyl-CoA. Major species at pH 7.3.


Glu-Gly-Phe

A tripeptide consisting of L-glutamic acid, glycine and L-phenylalanine residues joined in sequence.


An  organosulfinate oxoanion resulting from the deprotonation of the sulfinic acid group of hypotaurine.


Lys-Tyr-Glu

A tripeptide composed of L-lysine, L-tyrosine and L-glutamic acid joined in sequence by peptide linkages.


Met-Ala-Met

A tripeptide composed of L-methionine, L-alanine, and L-methionine joined in sequence by peptide linkages.


A D-5-monosubstituted hydantoin that is  imidazolidine-2,4-dione in which the pro-R hydrogen at position 5 has been replaced by a phenyl group.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of N-carbamoyl-D-phenylglycine. The major microspecies species at pH 7.3.


An adamanzane which contains four one-carbon chains and two two-carbon chains linking the nitrogens thus forming a cage structure.


adamanzane

Any one of a class of organic heteropolycyclic compounds having a polycyclic cage structure containing four nitrogen atoms linked by carbons, the nitrogens occupying the vertices of a tetrahedron or similar cyclic structure, with potentially four faces and six edges, with carbon chains running approximately along the edges.


A tetrasaccharide derivative composed of four arabinofuranose residues in a beta(1->2), alpha(1->5) and alpha(1->5) linear sequence (with alpha-configuration at the reducing end), to the arabinofuranose residue at the non-reducing end is linked (3P->5) a 1D-myo-inositol 5-phosphate moiety.


A monocarboxylic acid anion that is the conjugate base of icas#1 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of icas#10 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of icas#9 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A branched heptasaccharide comprising seven D-arabinofuranose units, in an assembly consisting of three arabinose residues linked alpha(1->5) with alpha-arabinosyl-(1->2)-alpha-arabinosyl disaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.


A primary ammonium ion resulting from the protonation of the amino group of alpha-aminopropionitrile.


A 2-ammonio-2-deoxy-D-glucopyranose that has beta- configuration at the anomeric carbon.


A branched octasaccharide comprising six D-arabinofuranose and two mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-arabinosyl-(1->2)-[alpha-mannosyl-(1->5)]-alpha-arabinosyl trisaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.


A pentasaccharide composed of a mannopyranose and four arabinofuranose residues in an alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


A branched octasaccharide comprising six D-arabinofuranose and two mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl trisaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.


A hexasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, a mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


A branched octasaccharide derivative comprising one 5-deoxy-5-(methylsulfanyl)xylofuranose, one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two of the arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and 5-deoxy-5-(methylsulfanyl)-beta-xylofuranosyl-(1->4)-alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.


Any glycotetraosylceramide in which the tetraosyl moiety consists of an N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl group.


L-lysyl levuloglandin E2 adduct

An L-lysine derivative that is a gamma-lactam adduct formed between L-lysine and levuloglandin E2 (LGE2).


A hexasaccharide composed of two mannopyranose and four arabinofuranose residues in an alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


A branched decasaccharide comprising six D-arabinofuranose and four mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->2)-alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl tetrasaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.


A heptasaccharide composed of three mannopyranose and four arabinofuranose residues in an alpha(1->2), alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


An oligosaccharide that is a branched dodecasaccharide comprising six D-arabinofuranose and six mannopyranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->2)-alpha-mannosyl-(1->2)-alpha-mannosyl-(1->5)-alpha-arabinosyl-(1->2)-alpha-arabinosyl pentasaccharide units linked to the 3- and 5-positions of the residue distal from the reducing-end residue.


A heptasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, two mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


An octasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, three mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->2), alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.


A branched mannopentaose comprised of a linear tetrasaccharide unit of D-mannose residues linked sequentially alpha(1->2), alpha(1->6) and alpha(1->6), to the residue at the reducing end is also linked alpha(1->2) a fifth D-mannose residue.


A branched mannopentaose comprised of a linear tetrasaccharide unit of D-mannose residues linked sequentially alpha(1->3), alpha(1->6) and alpha(1->6), to the residue at the reducing end is also linked alpha(1->3) a fifth D-mannose residue.


A mannotetraose comprised of a trisaccharide unit of D-mannose residues linked sequentially alpha(1->3) and alpha(1->6), to the residue proximal to that at the reducing end is also linked alpha(1->6) a fourth D-mannose residue.


A mannotetraose comprised of a trisaccharide unit of D-mannose residues linked sequentially alpha(1->2) and alpha(1->6), while to the residue proximal to that at the reducing end is linked alpha(1->6) the fourth D-mannose residue.


A branched nonasaccharide consisting of a chain of five D-arabinofuranose and three D-mannopyranose residues linked sequentially alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->2), alpha(1->6) and alpha(1->6),  with a further D-mannopyranose residue linked alpha(1->2) to the mannose residue proximal to the reducing-end mannose.


A linear octasaccharide consisting of a chain of five D-arabinofuranose and three D-mannopyranose residues linked sequentially alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->2), alpha(1->6) and alpha(1->6).


An octasaccharide composed of eight arabinofuranose residues in a beta(1->2), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5) and alpha(1->5) linear sequence.


An octasaccharide composed of eight arabinofuranose residues in a beta(1->2), alpha(1->3), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5) and alpha(1->5) linear sequence.


An oligosaccharide (hexadecasaccharide) consisting of a linear sequence of six D-arabinofuranose residues all linked alpha(1->5), to the residue distal from the reducing end are added via alpha(1->3) and alpha(1->5) linkages two linear sequences of five D-arabinofuranose residues, again all linked alpha(1->5).


An oligosaccharide (octadecasaccharide) consisting of a linear sequence of six D-arabinofuranose residues all linked alpha(1->5), to the residue distal from the reducing end are added via alpha(1->3) and alpha(1->5) linkages two branched sequences of alpha-D-arabinofuranosyl-(1->3)-[alpha-D-arabinofuranosyl-(1->5)]-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl.


N-benzylhexadecanamide

A macamide resulting from the formal condensation of the carboxy group of hexadecanoic acid with benzylamine. A moderate inhibitor of fatty acid amide hydrolase.


A stilbenoid that is trans-stilbene which has been substituted by hydroxy groups at positions 2, 3, 5, and 4', and in which the hydroxy group at positon 2 has then been converted to the corresponding the beta-D-glucoside.


An oligosaccharide (docosasaccharide) consisting of a linear sequence of six D-arabinofuranose residues all linked alpha(1->5), to the residue distal from the reducing end are added via alpha(1->3) and alpha(1->5) linkages two branched sequences of beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->3)-[beta-D-arabinofuranosyl-(1->2)-alpha-D-arabinofuranosyl-(1->5)]-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl-(1->5)-alpha-D-arabinofuranosyl.


A branched heptasaccharide derivative comprising one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.


A branched heptasaccharide derivative comprising one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.


aryllmethyl dialkyl phosphate

A trialkyl phosphate in which one of the alkyl groups is derived from an arylmethyl alcohol.


N-terminal N-acetyl-L-aspartate residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-aspartate; major microspecies at pH 7.3.


N-terminal N-acetyl-L-glutamate residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-glutamate; major microspecies at pH 7.3.


An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-isoleucine; major microspecies at pH 7.3.


N-terminal N-acetyl-L-proline residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-proline; major microspecies at pH 7.3.


dTDP-D-galactose

The D-enantiomer of dTDP-galactose.


N-terminal N-acetyl-L-tyrosine residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-tyrosine; major microspecies at pH 7.3.


N-hydroxy-L-pipecolic acid

An N-hydroxypipecolic acid in which the chiral centre has L configuration.


A member of the class of phenylureas that is urea in which one of the nitrogens has been substituted by a 5-tert-butyl-1,2-oxazol-3-yl group, while the other has been substituted by a 3-fluoro-4-hydroxyphenyl group, the hydroxy group has been converted to the corresponding 1H-pyrazolo[3,4-d]pyrimidin-4-yl ether. It is an FLT3 (fms-like tyrosine kinase 3)and Wnt/beta-catenin signaling inhibitor.


blood group Type 1 oligosaccharide chain precursor


Lewis A antigen

One of the blood groups of the Lewis antigen system


triacylglycerol 57:0

A triglyceride in which the three acyl groups contain a total of 57 carbons and no double bonds.


An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.


A triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment.


disialyl-Lewis A antigen

A disialylated Lewis blood group antigen


Type 1 monosialylgalactosylgloboside

An intermediate in the formation of Lewis blood groups


Type 1 disialyl-paragloboside

Formed by the addition of sialic acid (Neu5Ac) to Type 1 MSGG and is the precursor for disialyl-Lewis A antigen


triazolothiadiazole

Any organic heterobicyclic compound containing ortho-fused triazole and thiadiazole rings.


A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR (aManR = 2,5-anhydro-D-mannitol).


A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR(6-OSO3) (aManR = 2,5-anhydro-D-mannitol).


A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA(2-OSO3)-GlcNSO3-IdoA-aManR(6-OSO3) (aManR = 2,5-anhydro-D-mannitol).


A heparan sulfate octasaccharide with sequence: GlcA-GlcNSO3-IdoA(2-OSO3)-GlcNSO3(6-OSO3)-IdoA(2-OSO3)-GlcNSO3-GlcA-aManR (aManR = 2,5-anhydro-D-mannitol).


SB 204741

A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor.


A member of the class of oxindoles that is 1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-one in which the ethyl group has been substituted at position 2 by a 4-(p-fluorobenzoyl)piperidin-1-yl group.  It is a potent and selective antagonist for the 5-hydroxytryptamine 1D (5-HT1D) receptor.


An ammonium ion resulting from the protonation of the piperidinyl nitrogen of LY-310762.


macamide

A fatty amide resulting from the formal condensation of a fatty acid with benzylamine or a substituted (commonly 3-methoxy-) benzylamine. The term originally referred to bioactive and marker compounds isolated from maca (Lepidium meyenii, a herb cultivated for centuries by the indigenous people in the Peruvian Andes as a staple food crop) but is now also used to refer to synthetic analogues.


A dipeptide resulting from the formal coupling of the carboxy group of N(2)-(diphenylacetyl)-D-arginine with the alpha-amino group of D-2-phenylglycinamide.


A dipeptide formed from L-arginine and L-phenylalaninamide residues in which a hydrogen attached to the nitrogen of the alpha-amino group of the arginine residue has been replaced by a 1-adamantanecarbonyl group. It has been reported to be a potent and selective antagonist of neuropeptide FF (NPFF) receptors, but more recently found to be an agonist at both NPFF1R and the kisspeptin receptor (KISS1R).


name: omega-methyl-long-chain fatty acid anion

description: A long-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3.


name: omega-hydroxy-long-chain fatty acid anion

description: An omega-hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy-long-chain fatty acid; major species at pH 7.3.


A branched octasaccharide derivative comprising one 5-deoxy-5-(methylsulfanyl)xylofuranose, one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two of the arabinose residues linked alpha(1->5), with 5-deoxy-5-(methylsulfanyl)-beta-xylofuranosyl-(1->4)-alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.


4-nitrophenyl sulfate

An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.


A branched oligosaccharide comprising eleven D-arabinofuranose units, in an assembly consisting of two of the arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.


A branched oligosaccharide comprising eleven D-arabinofuranose units, in an assembly consisting of two of the arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and beta-arabinosyl-(1->2)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl-(1->5)-alpha-arabinosyl units linked to respectively the 5- and 3-positions of the arabinose residue distal from the reducing-end residue.


omega-hydroxy-long-chain fatty acid

A omega-hydroxy-fatty acid with a chain length ranging from C13 to C22.


A hexasaccharide derivative consisting of 1D-myo-inositol carrying at O-2 an alpha-D-mannosyl residue and at O-6 an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl-(1->6)-alpha-D-mannosyl pentasaccharide chain.


A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose form.


12-epi-fischerindole G

An organic heterotetracyclic compound that is 5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole which is substituted at positions 6, 6, and 9 by methyl groups, and at positions 8, 9, and 10 by chlorine, vinyl, and isocyano groups respectively (the 6aS,8R,9S,10R,10aS stereoisomer). It is an indole alkaloid produced by the Stigonematales genus of cyanobacteria.


A furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin.


A carbohydrate acid anion arising from deprotonation of both carboxy groups of 4-(alpha-D-galactopyranuronosyl)-D-galactopyranuronic acid; major species at pH 7.3.


A tetrahydrofolyl-poly(glutamate) macromolecule in which the stereocentre at position 6 on the tetrahydrofolyl moiety has S-configuration.


A digalacturonic acid in which an alpha-D-galactopyranuronic acid unit is joined to a D-galactopyranuronic acid unit via an alpha-(1->4)-linkage.


a pyrimidine ribonucleoside

Any pyrimidine ribonucleoside


4-chloro-L-threonine residue

An L-alpha-amino-acid residue derived from 4-chloro-L-threonine.


A carbotricyclic compound that is cyclooctatin in which the hydroxymethyl substituent has been reduced to the corresponding methyl group. It is the biosynthetic precursor of cyclooctatin.


A phenolate anion that is 2,3,5-trichlorobenzene-1,4-diol in which the hydroxy group that is ortho- to two chlorines has undergone deprotonation. The major species at pH 7.3.


A phenolate anion that is 2,6-dichlorohydroquinone in which the hydroxy group that is ortho to both of the chlorines has been deprotonated. The major species at pH 7.3


O-acetyl-L-threonine residue

An L-alpha-amino acid residue derived from O-acetyl-L-threonine.


EXXXY peptide residue(1-)

-L-Glu-L-Xxx-L-Xxx-L-Xxx-L-Tyr-


name: E-Y cross-linked EXXXY peptide residues(1-)


A prostanoid that is prostaglandin E2 in which both of the hydrogens at position 16 have been replaced by methyl groups. A synthetic analogue of prostaglandin E2, it is a potent inhibitor of pancreatic function and growth of experimental tumors. It also protects the gastric mucosa, prevents ulceration, and promotes the healing of peptic ulcers.


A polyunsaturated dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioic acid. The major species at pH 7.3.


nocamycin E(2-)

A carboxylic acid dianion that is a dianion resulting from the deprotonation of the carboxy group and the enol group of nocamycin E. The major species at pH 7.3.


nocamycin I(1-)

An organic anion resulting from the deprotonation of the enol moiety of nocamycin I. The major species at pH 7.3.


A pyrimidotriazine that is 5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.


tetramic acid

A gamma-lactam that is 1,3-dihydro-2H-pyrrol-2-one in which the hydrogen at position 4 has been replaced by a hydroxy group. Despite its simple structure, it was not synthesised until 1972; earlier attempts were later shown to have resulted only in the formation of the isomer 5-imino-4,5-dihydrofuran-3-ol.


An 2-oxo-3-(phosphooxy)propyl 3-oxoalkanoate that results from deprotonation of the phosphate and diphosphate groups of any medium-chain fatty 2-oxo-3-(phosphooxy)propyl 3-oxoalkanoate; major species at pH 7.3.


A polyunsaturated fatty aldehyde that is (2E,6E,8E,10E)-dodeca-2,6,8,10-tetraenal in which the pro-S hydrogen at position 5 has been replaced by a hydroxy group.


validoxylamine B(1+)

A secondary ammonium ion resulting from the protonation of the amino group of validoxylamine B; major species at pH 7.3.


validoxylamine B

An amino cyclitol that is (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,2S,3R,4R,5S,6S)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl group.


A trimethyl-substituted thiazolidine carboxylic acid derived by cleavage of and loss of C=O from the azetidine ring of penicillanic acid.


dodecyl dodecanoate

A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol.


IODOPYRACET

A 4-pyridone in which the pyridone is iodo-substituted at C-3 and -5 and has a carboxymethyl substituent on nitrogen; used as a radiocontrast agent urography.


MOLLUGIN

A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of  acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme.


orthosulfamuron

An N-sulfonylurea and sulfuric amide resulting from the formal condensation of sulfuric acid with the primary amino group of 1-(4,6-dimethoxypyrimidin-2-yl)urea and with the primary amino group of 2-amino-N,N-dimethylbenzamide (1 mol eq. of each). An acetolactate synthase inhibitor, it is used as a pre- and post-emergent herbicide for the treatment of grasses and broad-leaved weeds in rice crops.


fatty acid 7:0

Any saturated fatty acid containing 7 carbons and 0 double bonds.


fatty acid 8:0

Any saturated fatty acid containing 8 carbons and 0 double bonds.


fatty acid 9:0

Any saturated fatty acid containing 9 carbons and 0 double bonds.


methyl-branched fatty acid 11:0

Any saturated methyl-branched fatty acid containing 11 carbons and 0 double bonds.


fatty acid 12:0

Any saturated fatty acid containing 12 carbons and 0 double bonds.


methyl-branched fatty acid 12:0

Any saturated methyl-branched fatty acid containing 12 carbons and 0 double bonds.


FAZARABINE

An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-arabinofuranosyl residue via an N-glycosidic linkage. A synthetic analogue of cytosine arabinoside and 5-azacytidine that incorporates structural features of both compounds, it shows good activity against a variety of transplanted tumors.


fatty acid 13:0

Any saturated fatty acid containing 13 carbons and 0 double bonds.


methyl-branched fatty acid 14:0

Any saturated methyl-branched fatty acid containing 14 carbons and 0 double bonds.


methyl-branched fatty acid 15:0

Any saturated methyl-branched fatty acid containing 15 carbons and 0 double bonds.


methyl-branched fatty acid 16:0

Any saturated methyl-branched fatty acid containing 16 carbons and 0 double bonds.


methyl-branched fatty acid 16:1(9Z)

Any monounsaturated methyl-branched fatty acid containing 16 carbons with a cis-double bond at position C-9.


methyl-branched fatty acid 17:0

Any saturated methyl-branched fatty acid containing 17 carbons and 0 double bonds.


methyl-branched fatty acid 18:0

Any saturated methyl-branched fatty acid containing 18 carbons and 0 double bonds.


methyl-branched fatty acid 18:1

Any monounsaturated methyl-branched fatty acid containing 18 carbons and 1 double bond.


methyl-branched fatty acid 18:2

Any polyunsaturated methyl-branched fatty acid containing 18 carbons and 2 double bonds.


fatty acid 19:0

Any saturated fatty acid containing 19 carbons and 0 double bonds.


methyl-branched fatty acid 20:0

Any saturated methyl-branched fatty acid containing 20 carbons and 0 double bonds.


methyl-branched fatty acid 20:1(11Z)

Any monounsaturated methyl-branched fatty acid containing 20 carbons with a cis-double bond at position C-11.


fatty acid 21:0

Any saturated fatty acid containing 21 carbons and 0 double bonds.


methyl-branched fatty acid 21:0

Any saturated methyl-branched fatty acid containing 21 carbons and 0 double bonds.


methyl-branched fatty acid 22:0

Any saturated methyl-branched fatty acid containing 22 carbons and 0 double bonds.


methyl-branched fatty acid 22:1(13Z)

Any monounsaturated methyl-branched fatty acid containing 22 carbons with a cis-double bond at position C-13.


fatty acid 23:0

Any saturated fatty acid containing 23 carbons and 0 double bonds.


methyl-branched fatty acid 23:0

Any saturated methyl-branched fatty acid containing 23 carbons and 0 double bonds.


ketomycolic acid type-3 (XIII')

A class of mycolic acids characterized by the presence of a proximal cis C=C double bond followed by a cis-cyclopropyl group, a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


An ammonium ion resulting from the protonation of the amino group of (S)-1-phenylethanamine; major microspecies at pH 7.3.


An N-(1-phenylethyl)acetamide that has S configuration.


An N-(1-phenylethyl)acetamide that has R configuration.


An ammonium ion resulting from the protonation of the amino group of (R)-1-phenylethanamine; major microspecies at pH 7.3.


A glycopentaosylceramide (anionic form) in which the galactose residue at the non-reducing end of the oligosaccharide moiety in beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer is sulfated at O-3.


An alpha-amino-acid residue formed from (2S,3R)-3-geranyl-2,3-dihydro-2,N(alpha)-cyclo-L-tryptophan.


O-acetyl-L-serine residue

An L-alpha-amino acid residue derived from O-acetyl-L-serine.


N(6)-tetradecanoyl-L-lysine residue

An alpha-amino-acid residue derived from N(6)-tetradecanoyl-L-lysine.


GRANDIFLORENIC ACID

A tetracyclic diterpenoid with formula C20H28O2 which exhibits anti-inflammatory, antibacterial, antileishmanial and wound-healing properties.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any acyl-AMP; major species at pH 7.3.


alpha-methyl-L-phenylalanine

An L-phenylalanine derivative that consists of L-phenylalanine bearing an additional methyl substituent at position 2.


medium-chain fatty acyl-AMP(1-)

A fatty acyl-AMP anion obtained by deprotonation of the phosphate OH group of any medium-chain fatty acyl-AMP; major species at pH 7.3.


An L-tyrosine derivative in which the tyrosine skeleton is substituted with a methoxy group at C-3 of the phenyl ring and with a methyl group at the alpha carbon. It can also be regarded as a 3-O-methyl,alpha-methyl derivative of L-dopa.


metyltetraprole

A member of the class of tetrazoles that is 1-methyl-4-phenyltetrazole in which the phenyl group has been substituted at positions 2 and 3 by [1-(p-chlorophenyl)-1H-pyrazol-3-yl]oxy}methyl and methyl groups, respectively. A quinone outside inhibitor, it is a fungicide that can be used to control a broad range of diseases, including Septoria leaf blotch in wheat.


RONIDAZOLE

A carbamate ester that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl and (carbamoyloxy)methyl groups, respectively. An antiprotozoal agent, it is used in veterinary medicine for the treatment of histomoniasis and swine dysentery.


DIMETRIDAZOLE

A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl groups. An antiprotozoal drug, it has been banned by both the Government of Canada and the European Union as a livestock feed additive owing to  suspicions of it being carcinogenic.


A sialotetraosylceramide consisting of a linear pentasaccharide made up from one N-glycoloylneuraminic acid residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage.


A sialohexaosylceramide consisting of a linear heptasaccharide made up from one N-glycoloylneuraminic acid residue, three galactose residues, one N-acetylglucososamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage.


A sialodiosylceramide in which a 4-acetylated 5-glycosylated sialic acid residue is linked to the ceramide moiety by a beta-galactosyl-(1->4)-beta-glucosyl chain.


An androstanoid having a double bond at C-5, an oxo group at C-3 and a hydroxy group with beta-configuration at C-17.


(methylsulfanyl)acetaldehyde

An aldehyde that is acetaldehyde in which one of the methyl hydrogens has been replaced by a methylsulfanyl group.


A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid.


An amino dicarboxylic acid that is 4-aminohepta-2,4-dienoic acid which is substituted at position 6 by an oxo group [the (2Z,4E) isomer].


nocamycin E

An organic heterotricyclic compound and tetramic acid derivative isolated from a mutant strain of Saccharothrix syringae. Nocamycin E exhibits considerably lower antibacterial activity than the corresponding methyl ester, nocamycin I.


diafenthiuron-S-oxide

A sulfoxide resulting from the oxidation of the thiourea sulfur group of diafenthiuron.


A branched oligosaccharide derivative consisting of nine residues corresponding to the core region of Salmonella lipopolysaccharide molecules and used as a model compound in investigations on the conjugation of the O-antigen to the CRM197 carrier protein. (It should be noted that the site and degree of phosphorylation of the Hep(III) residue are uncertain, while for the PPEtN group the percentage substitution can vary according to the strain of origin and the growth conditions.)


di-(N-succinimidyl) adipate

An N-hydroxysuccinimide ester formed from adipic acid.


LD-Hepp4PPEtn-SIDEA-Lys residue

An L-alpha-amino acid residue in which  L-alpha-D-Hepp4PPEtN is conjugated to the epsilon position of an L-lysine residue via a SIDEA linker. One of a number of structurally modified lysine residues arising from deglycosylation with trifluoromethanesulfonic acid (TFMS) of the core region of Salmonella conjugated with the carrier protein CRM197.


A hex-2-en-1-ol that has (E)-configuration.


PPEtn-SIDEA-Lys residue

An L-alpha-amino acid residue in which PPEtN is conjugated to the epsilon position of an L-lysine residue via a SIDEA linker. One of a number of structurally modified lysine residues arising from deglycosylation with trifluoromethanesulfonic acid (TFMS) of the core region of Salmonella conjugated with the carrier protein CRM197.


PEtn-SIDEA-Lys residue

An L-alpha-amino acid residue in which PEtN is conjugated to the epsilon position of an L-lysine residue via a SIDEA linker. One of a number of structurally modified lysine residues arising from deglycosylation with trifluoromethanesulfonic acid (TFMS) of the core region of Salmonella conjugated with the carrier protein CRM197.


HOEtn-SIDEA-Lys residue

An L-alpha-amino acid residue in which HOEtN is conjugated to the epsilon position of an L-lysine residue via a SIDEA linker. One of a number of structurally modified lysine residues arising from deglycosylation with trifluoromethanesulfonic acid (TFMS) of the core region of Salmonella conjugated with the carrier protein CRM197.


(E)-hex-2-enyl acetate

An acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid.


NERYL ACETATE

An acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid.


The anion formed by loss of a proton from the carboxy group of (R)-3-hydroxyisobutyric acid; major microspecies at pH 7.3.


(R)-methylmalonate semialdehyde

2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3.


ISOXAFLUTOLE

A member of the class of isoxazoles that is 1,2-oxazole substituted by a 2-(methanesulfonyl)-4-(trifluoromethyl)benzoyl group and a cyclopropyl group at positions 4 and 5, respectively. It is a 4-hydroxyphenylpyruvate dioxygenase inhibitor which is used as a herbicide for weed control in maize and sugarcane.


A beta-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole.


D-apiofuranose

The furanose form of D-apiose.


A member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties.


germacrene D-4-ol

A germacrane sesquiterpenoid that is germacrene D in which the exocyclic double bond has undergone formal addition of water to afford the corresponding tertiary alcohol.


A triazolopyridazine that is tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine which is substituted at positions 1, 3, and 4 by oxo, sulfanyl  and 4-chloro-2-fluoro-5-[(2-methoxy-2-oxoethyl)sulfanyl]phenyl groups, respectively. The active metabolite of the proherbicide fluthiacet-methyl.


ALPHA-ELEMOL

A sesquiterpenoid that is isopropanol which is substituted at position 2 by a (3S,4S)-3-isopropenyl-4-methyl-4-vinylcyclohexyl group.


ALLO-OCIMENE

An ocimene that consists of octa-2,4,6-triene bearing methyl substituents at positions 2 and 6 (the 4E,6E-isomer).


adipoyl-Lys residue

An L-alpha-amino acid residue in which HOEtN is conjugated to the epsilon position of an L-lysine residue.


Kdo-ADH-SIDEA-Lys residue

An L-alpha-amino acid residue in which 3-deoxy-D-manno-oct-2-ulosonic acid (Kdo) is conjugated to the epsilon position of an L-lysine residue via adipic acid dihydrazide (ADH) and adipic acid bis(N-hydroxysuccinimide) (SIDEA) linkers.


N-carbamoyl-D-phenylglycine

A member of the class of ureas that is N-carbamoylglycine in which the pro-R hydrogen has been replaced by a phenyl group.


ADH-SIDEA-Lys residue

An L-alpha-amino acid residue in which adipic acid dihydrazide (ADH) is conjugated to the epsilon position of an L-lysine residue via an adipic acid bis(N-hydroxysuccinimide) (SIDEA) linker.


SIDEA-Lys residue

An L-alpha-amino acid residue in which an adipic acid bis(N-hydroxysuccinimide) (SIDEA) linker is conjugated to the epsilon position of the L-lysine residue.


NEROLIDOL

A nerolidol in which the double bond at position 6 adopts a trans-configuration.


A methyl ketone that is benzamide in which one of the meta hydrogens has been replaced by an acetyl group. It is a bacterial secondary metabolite from actinomycete strain WA23-4-4 isolated from the intestinal tract of Periplaneta americana (American cockroach), it shows significant antifungal activity against Candida albicans ATCC 10231 and Aspergillus niger ATCC 16404 but is less active against Trichophyton rubrum ATCC 60836 and Aspergillus fumigatus ATCC 96918.


triacylglycerol 50:6

A triglyceride in which the three acyl groups contain a total of 50 carbons and 6 double bonds.


triacylglycerol 60:0

A triglyceride in which the three acyl groups contain a total of 60 carbons and no double bonds.


triacylglycerol 60:4

A triglyceride in which the three acyl groups contain a total of 60 carbons and 4 double bonds.


A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula.


An organic heterobicyclic compound that is 2-oxabicyclo[3.3.1]nonan-3-one which has been substituted by an oxo group at position 3, methyl groups at positions 4 and 8, and by a hydroxy group at position 8 (the 1R,4R,5R,8S stereoisomer). Isolated from the plant endophytic fungus Pestalotiopsis foedan.


hapten OTAb

A synthetic phenylalanine derivative derived formally from the mycotoxin ochratoxin A by substitution at position 4 of the phenyl ring with a 5-carboxypentyl group.


A cyclic acetal resulting from the formal condensation of the aldehydic group of p-hydroxybenzaldehyde with the hydroxy groups of 1,2-epoxypropane-1,3-diol. Isolated from Pestalotiopsis mangiferae, an endophytic fungus associated with the mango (Mangifera indica), it shows potent antibacterial and antifungal activity against E. coli, Bacillus subtilis, Klebsiella pneumoniae, Micrococcus luteus, Pseudomonas aeruginosa and Candida albicans.


phosphatidylserine 38:1

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 1 double bond.


phosphatidylserine 38:2

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 2 double bonds.


phosphatidylserine 40:0

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 0 double bonds.


phosphatidylserine 40:1

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 1 double bond.


phosphatidylserine 40:2

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 2 double bonds.


phosphatidylserine 40:3

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 3 double bonds.


phosphatidylserine 42:1

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 42 carbon atoms and 1 double bond.


phosphatidylserine 42:2

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 42 carbon atoms and 2 double bonds.


phosphatidylserine 42:3

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 42 carbon atoms and 3 double bonds.


phosphatidylserine 42:4

A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 42 carbon atoms and 4 double bonds.


hapten OTAd

A synthetic phenylalanine derivative derived formally from the mycotoxin ochratoxin A by replacement of the methyl group  at position 3 of the isochromene ring with a 4-carboxybutyl group.


djalonensone

A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins.


rhizopycnolide A

A benzochromene that is benzo[c]chromen-6-one which is substituted by hydroxy groups at positions 1, 4 and 7, methoxy groups at positions 3 and 9, a methyl group at position 1, and a 2-carboxy-2-hydroxyethyl group at position 4, and in which the carboxy group has undergone condensation with the 4-hydroxy group to afford the corresponding spirocyclic lactone. It is active against the pathogenic bacteria Agrobacterium tumefaciens, Bacillus subtilis, Pseudomonas lachrymans, Ralstonia solanacearum, Staphylococcus hemolyticus, and Xanthomonas vesicatoria, with MIC values in the range 25-100 mug/mL.


2-phenylethyl 1H-indol-3-ylacetate

A carboxylic ester resulting from the formal condensation of the carboxy group of indole-3-acetic acid with the hydroxy group of 2-phenylethanol.


METAM

A member of the class of dithiocarbamic acids that is dithiocarbamic acid in which a hydrogen attached to the amino group has been replaced by a methyl group. It is used (most widely as the corresponding sodium salt, metam-sodium) as an agricultural pesticide, mainly as a broad spectrum soil fumigant for the control of weeds, nematodes, soil-borne insects and fungi.


A dithiocarbamate anion resulting from the deprotonation of the thiol group of metam.


hapten OTAe

A synthetic phenylalanine derivative derived formally from the mycotoxin ochratoxin A by amide formation between its carboxy group and 6-aminohexanoic acid.


9-deoxy-hymatoxin A

An organic heterotetracyclic compound that is isopimarane in which a hydrogen at position 2 of the 13-ethyl substituent has been replaced by a (sulfooxy) group, a double bond has been introduced at the 7-8 position, and the beta-methyl group at position 4 has been oxidised to the corrsponding carboxy group and coupled to position 6 to give a gamma-lactone. Isolated from an avendophytic fungus, Xylaria sp. YM 311647, obtained from Azadirachta indica, it shows potent inhibitory activity against C. albicans and Pyricularia oryzae.


botryosphaerin H

A tetracyclic diterpenoid that is decahydro-4H,9H-[2]benzofuro[7,1-fg]isochromene-4,9-dionewhich is substituted by methyl groups at the 3a and 10b positions and by hydroxy groups at the 6 and 6a positions. A tetranorlabdane diterpenoid isolated from isolated from the solid fermentation products of Botryosphaeria sp. P483 that exhibits antifungal activity.


stemphyperylenol

An organic polycyclic compound that is 1,2,6b,7,8,12b-hexahydroperylene-3,9-dione which is substituted at positions 1, 4, 7, and 10 by hydroxy groups (the all-S isomer).


hapten OTAf

A synthetic phenylalanine derivative consisting of a 1:1 diatereoisomeric mixture of ochratoxin A and its isochromenyl C-3 epimer.


guignardone N

A meroterpenoid found in Guignardia and Fusarium species and shown to exhibit inhibitory activity against Candida albicans growth.


hyalodendriol C

An organic heterotricyclic compound that is 6H-benzo[c]chromen-6-one substituted by a methyl group at position 1, chloro group at position 2, methoxy group at position 3, and by hydroxy groups at positions 7 and 9. It is a metabolite isolated from Hyalodendriella species.


palmariol B

A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1, chloro group at position 2, hydroxy groups at positions positions 3 and 7, and by a methoxy group at position 9.


An isochromane that is mellein bearing a hydroxy group at position 4.


A sialoheptaosylceramide consisting of the branched octasaccharide alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucose attached to the primary hydroxy function of a ceramide with an undefined sphingoid base. It represents a hybrid structure of type 2 Le(x) epitope and GM1 ganglioside core structure, designated as Le(x)-GM1.


botrallin

An organic heterotricyclic compound that is 2,4a-dihydro-6H-benzo[c]chromen-6-one substituted by hydroxy groups at positions 1 and 7, an oxo group at position 2, methoxy groups at positions 3 and 9, and a methyl group at position 4a. It is isolated from Hyalodendriella species.


sporothriolide

A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.


ALTENUSIN

A carboxybiphenyl that is [biphenyl]-2-carboxylic acid which is substituted by a hydroxy group at positions 3, 4' and 5', methoxy group at position 5 and a methyl group at position 2'. It is a a metabolite isolated from Alternaria  and several other fungal species.


A member of the class of furans that is furan-2-ol in which the hydrogen at position 5 has been replaced by a undeca-3,5,7-trien-1-yl group. The configuration of the undecatrienyl double bonds is not stated.


A carbonate ester resulting from the formal condensation of the hydroxy group of 5-(undeca-3,5,7-trien-1-yl)furan-2-ol with one of the hydroxy groups of carbonic acid. A metabolite of the endophytic fungus Emericellasp. XL029. The configuration of the double bonds of the undecatrienyl group is not stated.


HOMOGENESTIC ACID LACTONE

A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a hydroxy group at position 5.


A 3-hydroxybutanenitrile that has R configuration. A metabolite isolated from Aspergillus sp. KJ-9, it is active against a wide variety of phytopathogenic fungi.


solabegron

A carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome.


pinoxaden acid

An organic hydroxy compound resulting from the hydrolysis of the the pivalate ester group of the proherbicide pinoxaden.


A member of the class of benzoates resuting from the deprotonation of the carboxy group of 3,6-dichloro-2-methoxybenzoic acid (dicamba). Major microspecies at pH 7.3


Major microspecies at pH 7.3


apulose 4-phosphate(2-)

Major microspecies at pH 7.3


D-apionate

Major microspecies at pH 7.3


An isoquinolinol that is 5-hydroxyisoquinolin-1(2H)-one which has been substituted at positions 4 and 8 by phenyl and methoxy groups, respectively. Isolated from the fermentation of an endophytic fungus Penicillium sp. R22 in Nerium indicum. It displayed weak antibacterial activity.


3-oxoisoapionate 4-phosphate(2-)

Major microspecies at pH 7.3


(R)-3-oxoisoapionate 4-phosphate(-)

Major microspecies at pH 7.3


fusarithioamide A

A member of the class of benzamides that is 2-aminobenzoic acid in which the hydrogen atom of the carboxy group has been substituted by a [(1S)-1-hydroxy-3-mercaptopropyl]nitrilo group and in which one of the the hydrogens of the amino group has been substituted by a (2R)-2-aminopropanoyl group. It is a metabolite isolated from the endophytic fungus, Fusarium chlamydosporium.


helvolic acid methyl ester

A methyl ester resulting from the formal condensation of the carboxy group of helvolic acid with methanol. Isolated from the fermentation of endophytic fungus Fusarium sp. in Ficus carica leaves.


aigialone

A furopyran that is 5,6-dihydro-4H-furo[2,3-b]pyran-3(2H)-one which is substituted by hydroxy groups at positions 4 and 5, methyl groups at positions 2 and 5, and a heptyl group at position 6 (the 2R,4R,5S,6R stereoisomer). Isolated from the mangrove fungus Aigialus parvus BCC 5311 and from Phaeoacremonium sp., an endophytic fungus from Senna spectabilis.


N-methylhippuric acid

An N-acylglycine that is N-methylglycine in which the hydrogen of the amino group is substituted by a benzoyl group.


isoaigialone B

A gamma-lactone that is 3,4,5,7-tetrahydro-2H-furo[3,4-b]pyran substituted by heptyl, methyl, hydroxy, hydroxy, oxo and methyl groups at positions 2R, 3S, 3S, 4R, 5 and 7R, respectively. It is isolated from the endophytic fungus Phaeoacremonium sp. and exhibits antifungal activities.


sclerodol B

A 3beta-hydroxy steroid that is (3beta,5alpha)-4,4,14-trimethylandrost-8-en-3-ol which is substituted by a (3E,6S)-2-methoxy-2-methylhept-3-en-6-yl group at position 17.


milbemycin D

A milbemycin originally isolated from Streptomyces hygroscopicus with formula C33H48O7 that has insecticidal and anthelmintic proerties.


indanomycin

An indene that is (3aS,7aR)-2,3,3a,4,5,7a-hexahydro-1H-indene which is substituted at the 2-pro-R position by a 1H-pyrrol-2-ylcarbonyl group, at the 9-pro-S position by an ethyl group, and at the 5-pro-R position by a hexa-1,3-dineyl group in which position 4 has been substituted by a (2R,3S,6R)-6-[(1R)-1-carboxyethyl]-3-methyltetrahydropyran-2-yl group. It exhibits activity against Gram-positive bacteria as well as antihypertensive and antitumour. It also functions as an effective growth promoter for ruminants.


An oxindole that is 1,3-dihydro-2H-indol-2-one which is substituted by ethyl and methoxy groups at position 3.


ekatetrone

An organic heterotetracyclic compound that is 1,8-dihydroxy-9,10-anthraquinone which is substituted at position 2 and 3 by 3-amino-1-hydroxy-3-oxopropyl and carboxymethyl groups, respectively, in which the hydroxy group beta- to the carboxamide has undergone formal condensation with the carboxy group to give the corresponding delta-lactone. Isolated from various strains of Kitasatospora aureofaciens (Streptomyces aureofaciens), it inhibits the growth of Ehrlich ascites carcinoma in vitro.


4,5-dihydroxyisophthalic acid

A hydroxybenzoic acid that is isophthalic acid (benzene-1,3-dicarboxylic acid) in which the hydrogens at positions 4 and 5 have been replaced by hydroxy groups. An inhibitor of brain glutamate decarboxylase.


An imidazolium ion resulting from the protonation  of the nitrogen at position 3 of the imidazole group of neticonazole.


A member of the class of pyrazoles that is cyenopyrafen in which the pivalate ester group has been hydrolysed to give the corresponding enol. It is the active acaricide of the proacaricide cyenopyrafen.


benzobicyclon hydrolysate

A racemate comprising equimolar amounts of (1R,5S) and (1S,5R)-benzobicyclon hydrolysate. It is the active herbicide of the proherbicide benzobicyclon.


A beta-alanine derivative that is propanoic acid in which one of the methyl hydrogens at position 3 is replaced by a (2-hydroxyethyl)nitrilo group.


alpha-D-talopyranose

D-Talopyranose having alpha-configuration at the anomeric centre.


Ser-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-serine with the amino group of L-threonine.


N(beta)-acetylstreptothricin F(2+)

The N(beta)-acetyl derivative of streptothricin F(3+); major microspecies at pH 7.3.


Pro-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-proline with the amino group of L-threonine.


N(beta)-acetylstreptothricin D(4+)

The N(beta)-acetyl derivative of streptothricin D(5+); major microspecies at pH 7.3.


A member of the class of pyrazolopyrimidines that is pyrazophos in which the the thiophosphate group has been hydrolysed to the corresponding hydroxy group. The active fungicide of the profungicide pyrazophos.


An azaspiro compound that is spirotetramat in which the carbonate ester group has been hydrolysed to the corresponding hydroxy group. It is the active insecticide of the proinsecticicde spirotetramat.


Major microspecies at pH 7.3.


A dicarboxylic acid dianion resulting from the deprotonation of both ot the carboxy groups of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid. The major microspecies at pH 7.3.


A benzothiadiazole that is acibenzolar-S-methyl in which the thioester group has been hydrolysed to the corresponding carboxylic acid group. The active herbicide of the proherbicide acibenzolar-S-methyl.


(1R,5S)-benzobicyclon hydrolysate

A 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one that has (1R,5S) configuration. The herbicide benzobicyclon hydrolysate  is a racemate consisting of equimolar amounts of this compound and its enantiomer.


(1S,5R)-benzobicyclon hydrolysate

A 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-hydroxybicyclo[3.2.1]oct-3-en-2-one that has (1S,5R) configuration. The herbicide benzobicyclon hydrolysate is a racemate consisting of equimolar amounts of this compound and its enantiomer.


benzyl beta-D-glucopyranoside

A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a benzyloxy group.


glycyl-4-aminobutyric Acid

An N-acyl-gamma-aminobutyric acid where the acyl group is specified as aminoacetyl.


A carbobicyclic compound that is 4-hydroxybicyclo[3.2.1]oct-3-en-2-one in which position 3 is substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group.


ganglioside GM2 (20:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is icosanoyl. A constituent of natural ganglioside GM2.


ganglioside GM2 (24:1)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is tetracos-15-enoyl. A constituent of natural ganglioside GM2.


Arg-Pro

A dipeptide obtained by formal condensation of the carboxy group of L-arginine with the amino group of L-proline.


ganglioside GM2 (natural compound)

A naturally occurring mixture of ganglioside GM2 analogues having within the ceramide moiety various N-acyl groups, e.g. octadecanoyl (R = -[CH2]16CH3 in the diagram), icosanoyl (R = -[CH2]18CH3),  tetracos-15-enoyl (R = -[CH2]13HC=CH[CH2]7CH3).


Asn-Ile

A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-isoleucine.


Asn-Leu

A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-leucine.


Asn-Met

A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-methionine.


Asn-Phe

A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-phenylalanine.


Asn-Trp

A dipeptide obtained by formal condensation of the carboxy group of  L-asparagine with the amino group of L-tryptophan.


Asp-Met

A dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid  with the amino group of L-methionine.


Asp-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid with the amino group of L-threonine.


Gln-Asn

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of  L-asparagine.


Gln-Leu

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-leucine.


Gln-Phe

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-phenylalanine.


Gln-Trp

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of  L-tryptophan.


Gln-Tyr

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine  with the amino group of L-tyrosine.


Gln-Val

A dipeptide obtained by formal condensation of the carboxy group of L-glutamine with the amino group of L-valine.


A monogalactosylmonoacylglycerol with the acyl chain at either sn-1 or sn-2. (R(1)= OH, R(2) = acyl or vice versa). Formula: C10H17O9R1


Glu-Gln

A dipeptide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of L-glutamine.


Glu-Ile

A dipeptide obtained by formal condensation of the carboxy group of L-glutamic acid with the amino group of L-isoleucine.


His-Ile

A dipeptide obtained by formal condensation of the carboxy group of L-histidine with the amino group of L-isoleucine.


His-Phe

A dipeptide obtained by formal condensation of the carboxy group of L-histidine with the amino group of L-phenylalanine.


Ile-Asp

A dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-aspartic acid.


Ile-Lys

A dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-lysine.


Ile-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-threonine.


Met-Asn

A dipeptide obtained by formal condensation of the carboxy group of L-methionine with the amino group of L-asparagine.


Phe-Lys

A dipeptide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of L-lysine.


Pro-Met

A dipeptide obtained by formal condensation of the carboxy group of L-proline with the amino group of L-methionine.


Ser-Trp

A dipeptide obtained by formal condensation of the carboxy group of L-serine with the amino group of L-tryptophan.


Thr-Ile

A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-isoleucine.


Trp-Asn

A dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-asparagine.


Trp-Ile

A dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-isoleucine.


Trp-Pro

A dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-proline.


Trp-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-threonine.


ganglioside GM2 (24:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is tetracosanoyl. A synthetic modification of the natural ganglioside GM2.


Tyr-Asn

A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-asparagine.


A ribonucleotide residue(1-) derived from cytidine 5'-monophosphate(2-).


ganglioside GM2 (18:1)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octadec-9-enoyl. A synthetic modification of the natural ganglioside GM2.


Tyr-Asp

A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-aspartic acid.


Tyr-Pro

A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-proline.


Tyr-Ser

A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-serine.


Tyr-Thr

A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-threonine.


ganglioside GM2 (16:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is hexadecanoyl. A synthetic modification of the natural ganglioside GM2.


ganglioside GM2 (8:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octanoyl. A synthetic modification of the natural ganglioside GM2.


ganglioside GM2 (5:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is pentanoyl. A synthetic modification of the natural ganglioside GM2.


ganglioside GM2 (2:0)

A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is acetyl. A synthetic modification of the natural ganglioside GM2.


N-hydroxypipecolic acid

An N-hydroxy-alpha-amino-acid resulting from the formal N-hydroxylation of the amino group of piperidine-carboxylic acid (pipecolic acid).


A glycosphingolipid that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose linked (1<->1') to sphingosine [(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol].  A synthetic modification of the natural ganglioside GM2.


ganglioside GM2 (18:0) amide

A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into a carboxamide.


1-methylthio-D-xylulose 5-phosphate(2-)

An organophosphate oxoanion that is the dianion of 1-methylthio-D-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major microspecies at pH 7.3


S-methyl glutathione(1-)

An S-substituted glutathione(1-) resulting from the protonation of the primary amino group and the deprotonation of both of the carboxy groups of S-methyl glutathione. The major microspecies at pH 7.3.


S-methylthio glutathione(1-)

An S-substituted glutathione(1-) resulting from the protonation of the primary amino group and the deprotonation of both of the carboxy groups of S-methylthio glutathione. The major microspecies at pH 7.3.


A beta-ketonitrile resulting from the hydrolysis and decarboxylation of the proherbicide cyflumetofen.


ganglioside GM2 (18:0) methylamide

A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into an N-methylcarboxamide.


ganglioside GM2 (18:0) methyl ester

A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been esterified to form its methyl ester.


S-METHYLGLUTATHIONE

An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a methyl group.


S-methylglutathione zwitterion

A zwitterion resulting from the transfer of a proton for the carboxy group to the amino group of the L-gamma-glutamyl residue of S-methylglutathione.


malathion

A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.


(R)-malathion

A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the R-enantiomer of malathion.


(S)-malathion

A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the S-enantiomer of malathion.


A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphoryl)thio group.


(R)-malaoxon

A diethyl 2-[(dimethoxyphosphoryl)thio]succinate that is the R-enantiomer of malaoxon.


(S)-malaoxon

A diethyl 2-[(dimethoxyphosphoryl)thio]succinate that is the S-enantiomer of malaoxon.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any dihydrodipicolinic acid.


name: ganglioside GM2 (18:0) NeuAc-C7-de(1,2,-dihydroxyethyl)

description: A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo residue is truncated at C-7.


name: ganglioside GM2 (18:0) (NeuAc-N-deacetyl)

description: A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo N-acetyl group has been deacetylated.


An oxoproline derivative having an hydroxy group placed at the 2-position and the oxo group placed at the 5-position; major microspecies at pH 7.3.


A sialodiosylceramide consisting of the tetrasaccharide alpha-Neu5NAc-(2->8)-alpha-Neu5NGc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide.


A sialodiosylceramide consisting of the tetrasaccharide alpha-Neu5NGc-(2->8)-alpha-Neu5NGc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide.


In nature, p-octopamine is believed to exist in only one stereoisomeric form, the L- or [R-(-)] form.


(R)-tafenoquine

A N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine that has R configuration.


(S)-tafenoquine

A N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine that has S configuration.


An aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a [(tert-butylimino)methylene]amino group. The active insecticide of the proinsecticide diafenthiuron.


(3S)-3-hydroxy-L-lysine(1+) residue

An amino-acid cation residue obtained by protonation of the side-chain amino group of (3S)-3-hydroxy-L-lysine residue residue; major species at pH 7.3.


carboxybiphenyl

Any member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton.


4-hydroxy-L-lysine(1+) residue

An amino-acid cation residue obtained by protonation of the side-chain amino group of 4-hydroxy-L-lysine residue residue; major species at pH 7.3.


An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of 4-hydroxy-L-lysine: major species at pH 7.3.


tralopyril

A pyrrole resulting from the N-dealkylation of the ethoxymethyl group of chlorfenapyr. It is the active insecticide of the proinsecticide chlorfenapyr.


hemiaminal ether

An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers.


Major microspecies at pH 7.3.


CholEsteryl BODIPY 542/563 C11

A BODIPY dye in which the 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene skeleton is substituted at position 5 by a p-methoxyphenyl group and at position 3 by an 11-[(3beta)-cholest-5-en-3-yloxy]-11-oxoundecyl group. An orange-red BODIPY dye.


pyrasulfotole

A pyrazole pesticide that is 1,3-dimethylpyrazol-5-ol in thich the hydrogen at position 4 has been replaced by a 2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl group. A 4-hydroxyphenylpyruvate dioxygenase inhibitor, it is used as a herbicide (particularly in conjunction with the safener mefenpyr-diethyl) to control various broad-leaved weeds.


trifludimoxazin

A member of the class of 1,3,5-triazinanes that is 6-sulfanylidene-1,3,5-triazinane-2,4-dione in which the hydrogens attached to the nitrogens adjacent to the thioxo group have been replace by methyl groups and in which the hydrogen attached to the remaining nitrogen has replaced by a 2,2,7-trifluoro-3-oxo-4-(prop-2-yn-1-yl)-3,4-dihydro-1,4-benzoxazin-6-yl group. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide.


imidaprilat

A member of the class of imidazolidines that is imidapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of imidapril used to treat hypertension.


trandolaprilat

A heterobicyclic compound that is trandolapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of the prodrug trandolapril.


spiraprilat

An azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril.


An ammonium ion resulting from the protonation of the secondary amino group of quinapril.


ochratoxin B

A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid. Ochratoxin B differs from the more naturally abundant ochratoxin A in the absence of the dihydroisocoumarin chlorine atom. It has cytotoxic effects on kidney and liver cells in vitro but only minor effects in vivo, due to its rapid metabolism and excretion.  It inhibits cell proliferation of human liver HepG2 cells at doses as low as 1 mug/ ml but lacks the genotoxic activity of ochratoxin A, even at higher concentrations.


ochratoxin C

A phenylalanine derivative that is the ethyl ester of ochratoxin A.


diacylglycerol 44:12

A diglyceride in which the two acyl groups contain a total of 44 carbons and 12 double bonds.


DELANZOMIB

A C-terminal boronic acid peptide inhibitor which induces apoptosis in multiple myeloma, hematological and solid tumor cell lines.


4-undecylbenzenesulfonic acid

An arenesulfonic acid that is benzenesulfonic acid substituted by an undecyl group at position 4.


MYRICANONE

A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells.


A member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil.


desmethyldoxepin

A dibenzooxepine resulting from the demethylation of the antidepressant doxepin. It is the active metabolite of doxepin.


A member of the class of piperidones that is 1-methylpiperidin-2-one in which a hydrogen at positions 3,4,5 and 6 has been replaced by hydroxy, phenyl, phenyl and methoxy groups, respectively.


An enone that is cyclopentanone having a C=C double bond at position 2.


A member of the class of bromobenzenes that is bromobenzene carrying a fluoro atom at position 4.


forasartan

A member of the class of pyridines that is pyridine which is substituted at positions 2 and 5 by o-(tetrazol-5-yl)phenyl and (3,5-dibutyl-1,2,4-triazol-1-yl)methyl groups, respectively. It is a nonpeptide antagonist of angiotensin II, type 1 (AT1) receptors, used for the treatment of hypertension.


An alpha-amino-acid residue cation obtained by protonation of the guanidine function of N(omega)-(1-hydroxy-2-oxoethyl)-L-argininium residue.


An alpha-amino-acid residue cation obtained by protonation of the amino group of N(6)-(1-hydroxy-2-oxoethyl)-L-lysinium residue.


An L-alpha-amino acid residue derived from S-(1-hydroxy-2-oxoethyl)-L-cysteine.


A member of the class of propanals that is propanal substituted by two methyl groups at position 2.


An alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4.


An alkane that is hexane substituted by a methyl group at positions 2,3 and 5.


An alkane that is butane substituted by a methyl group at positions 2 and 3.


An alkane that is hexane carrying a methyl group at positions 2 and 4.


An alkene that is pent-1-ene carrying a methyl group at position 2.


An alkene that is 2-methylhept-1-ene carrying a methyl group at position 4.


tert-butyl ethyl ether

An ether having ethyl and tert-butyl as the two alkyl components. It is used as an engine fuel additive to reduce emissions of carbon monoxide and soot.


A member of the class of furans that is furan in which the hydrogen atom at position 2 has been replaced by an ethyl group.


An enone that is hex-3-ene in which the methylene hydrogen atoms at position 2 have been replaced by an oxo group.


A member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group.


A nitrosamine that is N-nitrosodiethylamine in which one of the ethyl froups has been replaced by a 2-hydroxyethyl group. It is used to induce renal and liver tumours in rodents.


Major microspecies at pH 7.3


Major microspecies at pH 7.3.


Major microspecies at pH 7.4


C80 mycolic acid

A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of hexacosanoic acid substituted at position 2 by a (1R,18Z,33Z)-1-hydroxytetrapentaconta-18,33-dien-1-yl group. (The term C80 refers to the average tail length of a reported naturally occurring range of 72-86 carbon atoms.)


dihydromonacolin L

A pyranone obtained by selective hydrogenation of the 4a,5-double bond in monacolin L.


cytidine 5'-diphosphoramidate(2-)

Major microspecies at pH 7.3


A phosphatidylethanolamine 36:1 in which one acyl group has 18 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified).


phosphatidylethanolamine 36:2

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 2 double bonds.


phosphatidylethanolamine 36:3

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 3 double bonds.


phosphatidylethanolamine 38:3

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 38 carbons in total with 3 double bonds.


A phosphatidylethanolamine 36:2 in which both acyl groups have 18 carbons and 1 double bond each (position not specified).


An amino octasaccharide consisting of two beta-D-galactosyl-(1->3)-N-acetyl-D-galactosamine disaccharide units linked beta(1->3), to each galactosyl residue of which is linked beta(1->6) a pseudaminyl-(2->6)-D-glucosyl branch. The molecule represents two of the repeat units of the exopolysaccharide of the the Gram negative pathogen Acinetobacter baumannii strain 54149, of which the majority of the repeat units contain the aforementioned linked pseudaminic acid moiety (PMID:29965749).


A phosphatidylethanolamine 36:3 in which one acyl group has 18 carbons and 1 double bond while the other has 18 carbons and 2 double bonds (position not specified).


A phosphatidylethanolamine 38:2 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 1 double bond (position not specified).


A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and 2 double bonds while the other has 20 carbons and 1 double bond (position not specified).


A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 3 double bonds (position not specified).


A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).


A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 3 double bonds (position not specified).


name: A. baumannii strain 54149 exopolysaccharide

description: A polysaccharide derivative that is the exopolysaccharide of Acetobacter baumannii strain 54149, the repeat unit consisting of N-acetyl-D-galactosamine beta-1,3 linked with D-galactose as the backbone with the galactose carrying a beta-1,6 linked glucose branch. Most repeating units (~90%) are decorated with beta-2,6-linked pseudaminic acid on the branch (CHEBI:141605).


acaulide

A macrodiolide consisting of two (3E,5R,6S,9R,14S)-5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl attached to position 1 of (6S)-6-methyldihydro-2H-pyran-2,4(3H)-dione. Isolated from a culture of Acaulium sp. H-JQSF associated with the isopod Armadillidium vulgare.


BODIPY 493/503

A BODIPY dye in which the 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene  skeleton is substituted at positions 1, 3, 5, 7, and 8 by methyl groups. It is used as a stain for neutral lipds and as a tracer for oil and other nonpolar lipids.


N-terminal L-Asp-L-Asp-L-Asp residue; major microspecies at pH 7.3


N-terminal L-Glu-L-Glu-L-Glu residue; major microspecies at pH 7.3.


N-terminal N-acetyl-L-Asp-L-Asp-L-Asp residue


name: beta-2,6-Pse-linked A. baumannii strain 54149 exopolysaccharide

description: A polysaccharide derivative that is the beta-2,6-pseudaminic acid-linked exopolysaccharide of Acetobacter baumannii strain 54149, the repeat unit consisting of N-acetyl-D-galactosamine beta-1,3 linked with D-galactose as the backbone with a beta-pseudaminyl-(2->6)-glucose branch linked beta-1,6 to the galactose.The beta-2,6-linked pseudaminic acid residue is present on ~90% of the galactose residues.


N-terminal N-acetyl-L-Glu-L-Glu-L-Glu residue; major microspecies at pH 7.3


N-terminal L-(Asp/Glu)3 residue

N-terminal tripeptidic residue, composed of acidic L amino-acid (L-Asp or L-Glu); major microspecies at pH 7.3.


N-terminal N-acetyl tripeptidic residue, composed of acidic L amino-acid (L-Asp or L-Glu)


Zwitterionic form of 3-hydroxy-4-methyl-L-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


3-hydroxy-D-kynurenine zwitterion

Zwitterionic form of 3-hydroxy-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major microspecies at pH 7.3


Zwitterionic form of 3-hydroxy-4-methyl-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3


A (2-amino-1-hydroxyethyl)phosphonate zwitterion that has (R)-configuration; major microspecies at pH 7.3.


HAPALINDOLE U

A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.


HAPALINDOLE G

A hapalindole that is hapalindole U in which the pro-R hydrogen at position 8 has been replaced by a chlorine. It is produced by the cyanobacterium Fischerella ambigua.


Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide.


hapalindole-type alkaloid

Any member of a structurally diverse group of hybrid isoprenoid-indole alkaloids, produced solely by members of the Subsection V cyanobacterial strains. The major classes of hapalindole-type molecules include hapalindoles, fischerindoles, welwitindolinones and ambiguines that share a common molecular feature where an indole and an isonitrile group are connected by a carbon-carbon motif (C10-C11) that is appended with a monoterpene unit. Fusion of the exomethylene carbon C-16 with indole backbones in the tricyclic hapalindoles provides tetracyclic hapalindoles and fischerindoles that, on rearrangement, can also lead to the bridged tetracyclic welwitindolinones. Decoration of tetracyclic hapalindoles with a tert-prenyl group at C-2 of the indole ring results in ambiguines, of which many have a fused pentacyclic 6-6-6-5-7 or 6-6-6-5-6 ring system.


ambiguine

Any hapalindole-type alkaloid resulting from attachment of a tert-prenyl group at C-2 of the indole ring of a hapalindole and subsequent elaboration. Many ambiguines have a fused pentacyclic 6-6-6-5-7 or 6-6-6-5-6 ring system.


A quaternary ammonium ion that is (S)-N-methylcanadine in which the hydrogen at position 14 is substituted by a hydroxy group.


A deazaflavin cofactor used by mycobacteria to protect itself from nitrosative damage. The oxidised form needs to be reduced for this use.


A deazaflavin cofactor in reduced form is used by mycobacteria to protect itself from nitrosative damage.


A quaternary ammonium ion resulting from the methylation of the amino group of (S)-canadine in which the hydrogen at position 1 and the pro-S hydrogen at position 13 have been replaced by hydroxy groups.


A quaternary ammonium ion that is (13S,14R)-1,13-dihydroxy-N-methylcanadine in which the alcoholic hydroxy group at position 13 has been converted into the corresponding acetate ester.


SIAGOSIDE

A sialotetraosylceramide consisting of the disialoganglioside GM1 with a lactone ring formed between C-1 of the NeuNac residue and C-2 of the galactose residue proximal to the ceramide moiety.


A quaternary ammonium ion that is (13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine which carries a hydroxy group at position 8.


A benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(2-formyl-3,4-dimethoxyphenyl)methyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.


A benzylisoquinoline alkaloid that is 3-O-acetyl-4'-O-demethylpapaveroxine in which the phenolic hydroxy group has been converted to the corresponding methyl ether. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.


A sialodiosylceramide consisting of the pentasaccharide alpha-Neu5N,9Ac2-(2->8)-alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide.


(-)-noscapine hemiacetal

A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (-)-noscapine.