A carboxylic ester obtained by formal condensation of 9-(alpha-D-galactosyloxy)nonanoic acid and methanol.


The pentacyclic triterpenoid that is the 11alpha-hydroxy derivative of beta-amyrin.


An edaxadiene in which the carbon bearing the hydroxy group has R configuration.


A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-alaninamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


An edaxadiene in which the carbon bearing the hydroxy group has S configuration.


A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-serinamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-cysteinamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


A monocarboxylic acid amide obtained by formal condensation between N-butyl-3,3-dimethoxyalaninamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid.


The pentacyclic triterpenoid that is the 11-oxo derivative of beta-amyrin.


An amino acid amide that is a carboxamide obtained by formal condensation between N-butyl-L-alaninamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid.


An amino acid amide that is a carboxamide obtained by formal condensation between N-butyl-L-serinamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid.


An  amino acid amide that is a carboxamide obtained by formal condensation between N-butyl-L-cysteinamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid.


A monocarboxylic acid amide obtained by formal condensation between N-butyl-3,3-dimethoxyalaninamide and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid.


An L-alanine derivative obtained by formal condensation between N-butyl-L-alaninamide and 2-thienylacetic acid.


(+)-beta-caryophyllene

A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form.


beta-caryophyllene

A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil.


A L-serine derivative obtained by formal condensation between N-butyl-L-serinamide and 2-thienylacetic acid.


A cysteine derivative obtained by formal condensation between N-butyl-L-cysteinamide and 2-thienylacetic acid.


D-ravidosamine

A hexosamine having a 3-dimethylamino-3,6-dideoxy-alpha-D-galactose structure, the amino sugar constituent of ravidomycin and other antibiotics.


A dipeptide consisting of N-butyl-L-alaninamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen.


A carbotricyclic compound that is tricyclo[6.3.1.0(2,5)]dodecane which is substituted by a hydroxy group at position 1 and by methyl groups at positions 4, 4, and 8 (the  1S,2R,5S,8R-diastereoisomer).


A dipeptide consisting of N-butyl-L-serinamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen.


A dipeptide consisting of N-butyl-L-cysteinamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen.


A dipeptide consisting of N-butyl-L-alaninamide having an (R)-2-amino-2-(4-hydroxyphenyl)acetyl residue attached to its alpha-amino nitrogen.


A dipeptide consisting of N-butyl-L-serinamide having an (R)-2-amino-2-(4-hydroxyphenyl)acetyl residue attached to its alpha-amino nitrogen. A synthetic determinant of cefadroxil, it is a promising tool for determining in vitro cross-reactivity to cefadroxil in amoxicillin-allergic patients.


A dipeptide consisting of N-butyl-L-cysteinamide having an (R)-2-amino-2-(4-hydroxyphenyl)acetyl residue attached to its alpha-amino nitrogen.


dTDP-D-ravidosamine

A dTDP-sugar having D-ravidosamine as the sugar component.


(-)-gamma-cadinene

A member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,4aS,8aS enantiomer).


An alanine derivative obtained by formal condensation between N-butyl-L-alaninamide and (R)-2-hydroxy-2-phenylacetic acid.


(+)-gamma-cadinene

A member of the cadinene family of sesquiterpenes in which the isopropyl group is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,4aR,8aR enantiomer).


A L-serine derivative obtained by formal condensation between N-butyl-L-serinamide and (R)-2-hydroxy-2-phenylacetic acid.


mycinamicin III

A mycinamicin composed of a 16-membered ring macrolactone core, an N,N-dimethylated deoxysugar desosamine and a 2-O-methylated 6-deoxysugar javose.


A purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine.


A 2'-deoxyribonucleoside triphosphate oxoanion that is the trianion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups; major species at pH 7.3.


A cysteine derivative obtained by formal condensation between N-butyl-L-cysteinamide and (R)-2-hydroxy-2-phenylacetic acid.


A purine 2'-deoxyribonucleoside 5'-monophosphate in which the purine moiety is 2-hydroxyadenine.


An organophosphate oxoanion that is the dianion of 2'-deoxy-2-hydroxyadenosine 5'-monophosphate arising from deprotonation of both OH groups of the phosphate.


TCEP

A tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent.


cefodizime

A cephalosporin compound having 5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.


aminocyclopyrachlor-methyl

A pyrimidinecarboxylate ester that is the methyl ester of aminocyclopyrachlor.


A dihydroxy monocarboxylic acid that is the (5S,8R)-dihydroxy derivative of linoleic acid.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 5(S),8(R)-DiHODE. The major species at pH 7.3.


An ammonium ion resulting from the protonation of two most basic nitrogens of pramipexole.


A sialodecaosylceramide where the oligosaccharide component is made up from five galactose, three glucosamine, one glucose, one fucose and one sialose residue.


A purine 2'-deoxyribonucleoside 5'-triphosphate having 8-oxo-7,8-dihydroguanine as the nucleobase.


N-benzoylampicillin

A penicillin that is the N-benzoyl derivative of ampicillin.


A 2'-deoxyribonucleoside triphosphate oxoanion that is a trianion of 8-oxo-dGTP arising from partial deprotonation of the triphosphate OH groups.


A purine 2'-deoxyribonucleoside 5'-monophosphate having 8-oxo-7,8-dihydroguanine as the nucleobase.


An organophosphate oxoanion resulting from the removal of two protons from the phosphate group of 8-oxo-dGMP.


An N-acyl-L-homoserine lactone having 8-carboxy-3-oxooctanoyl as the acyl substituent.


hapten GNL

An azabicycloalkane that consists of ecgonine having phenylphosphonyl and alkyl groups attached to the hydroxy and carboxy groups respectively. Used as a transition state analogue of cocaine.


A linear amino trisaccharide consisting of D-glucose at the reducing end having an N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl moiety attached at the 4-position.


A methyl glycoside that is N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosamine in which the anomeric hydroxy group is replaced by methoxy.


A methyl glycoside that is N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-alpha-D-galactosamine in which the anomeric hydroxy group is replaced by methoxy.


A glycohexaosylceramide having alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc as the glycohexaosyl component.


A linear amino trisaccharide consisting of a galactosyl residue at the non-reducing end linked beta-(1->3) to an N-acetylgalactosaminyl residue, which is in turn linked beta-(1->3) to a beta-galactose unit at the reducing end.


A branched amino trisaccharide that consists of N-acetyl-alpha-D-galactosamine having a beta-D-galactosyl residue attached at the 3-position and an alpha-N-acetylneuraminosyl residue attached at the 6-position.


An amino trisaccharide that consists of a galactose residue attached by a beta-(1->3)-linkage to an N-acetylglucosamine residue, that is in turn attached to a second galactose by a beta-(1->6)-linkage.


A branched amino pentasaccharide consisting of the linear trisaccharide alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine having alpha-L-fucosyl residues attached at position 2 of the galactose and position 4 of the glucosamine.


pacific blue

A hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.


A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid which has R-configuration at the chiral centre.


A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group.


The monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.


pacific blue succinimidyl ester

An N-hydroxysuccinimide ester derived from 6,8-difluoro-7-hydroxycoumarin-3-carboxylic acid (pacific blue). A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.


A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate that has R configuration at the chiral centre.


alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc with beta configuration at the anomeric carbon of the GlcNAc residue at the reducing end.


A tricyclic triterpenoid that is pentalenene in which one of the hydrogens of the allylic methyl group is substituted by a hydroxy group.


An enal that is pentalen-13-ol in which the primary hydroxy group hax been oxidised to the corresponding aldehyde.


A seco-androstane that is 9,10-secoandrostane which is substituted by oxo groups at positions 9 and 17 and in which the A-ring is aromatic and bears a hydroxy group at position 3.


An organosulfonate oxoanion obtained by selective deprotonation of the sulfonic acid groups of DY-732.


reducing agent

The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species.


(Z)-2-methylureidoperacrylic acid

The peracid of (Z)-2-methylureidoacrylic acid where the acidic -OH group has been replaced by an -OOH group.


(Z)-2-methyl-3-aminoperacrylic acid

The peracid of aminoacrylic acid where the acidic -OH group has been replaced by an -OOH group.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-oxepin-2(3H)-ylideneacetic acid.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-oxepin-2(3H)-ylideneacetyl-CoA; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxo-5,6-dehydrosuberic acid.


A carbohydrate acid anion that results from the deprotonation of the carboxylic acid group of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp. The major species at pH 7.3.


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of 3-oxo-5,6-dehydrosuberyl-CoA; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,8-dioxooct-5-enoic acid.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3,8-dioxooct-5-enoyl-CoA; major species at pH 7.3.


phosphine derivative

Any phosphorus molecular entity formed by derivatization of a phosphine.


A trisaccharide consisting of beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and beta-D-glucopyranosyl residues connected in sequence by (1->4) and (1->3) links, respectively.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-alpha-D-desosamine, arising from deprotonation of the diphosphate group and protonation of the amino group.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc.


A dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-glucose as the sugar component.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-3-amino-3,6-dideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group.


A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose in which the galactose residue has beta-configuration at the anomeric centre.


A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-) in which the galactose moiety has beta-configuration at the anomeric centre.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-alpha-D-mycaminose, arising from deprotonation of the diphosphate group and protonation of the amino group.


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-glucose.


An organosulfate oxoanion resulting from the removal of a proton from the sulfate group of N-acetyl-beta-D-galactosamine 6-sulfate.


An oligosaccharide sulfate that is 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose in which the hydroxy group at position 2 of the 4-deoxy-hex-4-enopyranuronosyl moiety is converted to the corresponding sulfate derivative.


A UDP-amino sugar having 2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucose as the sugar component.


A organosulfate oxoanion and monocarboxylic acid anion that results from the removal of a proton from both the carboxy group and the sulfate group of 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc. The major species at pH 7.3.


A carbohydrate sulfate that is the 2-O-sulphate derivative of 5-dehydro-4-deoxy-D-glucuronic acid.


mycinamicin

Name for a family of macrolide antibiotics with more than twenty members produced by the rare actinomycete Micromonospora griseorubida.


A nucleotide-sugar oxoanion that is the conjugate base of UDP-2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3.


An organosulfate oxoanion that is 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid in which a proton has been removed from both the carboxy and the sulfate group.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc.


pseudaminic acid

A nine-membered ketoaldonic acid derivative that is 5,7-diacetamido-3,5,7,9-tetradeoxynon-2-ulopyranosonic acid having L-glycero-alpha-L-manno-configuration.


pseudaminate

A monocarboxylic acid anion arising from deprotonation of the carboxy group of pseudaminic acid; major species at pH 7.3.


An amino sugar that consists of beta-L-altropyranose having the hydroxy groups at positions 2 and 4 replaced by acetamido groups.


mycinamicin IV

A mycinamicin composed of a 16-membered ring macrolactone core, an N,N-dimethylated deoxysugar desosamine and a 2,3-di-O-methylated 6-deoxysugar mycinose.


mycinamicin VI

A mycinamicin composed of a 16-membered ring macrolactone core, an N,N-dimethylated deoxysugar desosamine and a 6-deoxysugar 6-deoxyallose.


A dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-galactopyranose (3-amino-3-deoxy-alpha-D-fucopyranose) as the sugar component.


A hexosamine having a 3-amino-3,6-dideoxy-alpha-D-galactose structure.


3-O-(alpha-L-olivosyl)erythronolide B

A macrolide that is erythronolide B having a 2,6-dideoxy-alpha-L-arabino-hexopyranosyl (alpha-L-olivosyl) residue attached at position 3.


A macrolide that is erythronolide B having a 2,6-dideoxy-3-O-methyl-alpha-Larabino-hexopyranosyl (alpha-L-oleandrosyl) residue attached at position 3.


A  monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid.


Alexa Fluor 405(3-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 8-[2-(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{-3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-7-[ethyl(3-sulfopropyl)amino]chromenium


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 7-[bis(3-sulfopropyl)amino]-2-tert-butyl-4-{3-[1-(3-carboxypropyl)-3-methyl-5-sulfo-3-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}chromenium.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-6,8,8-trimethyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-6,8,8-trimethyl-2-phenyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-8,8-dimethyl-2-phenyl-6-(sulfomethyl)-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-tert-butyl-2-{-3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-7-[ethyl(3-sulfopropyl)amino]chromenium.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 7-[bis(3-sulfopropyl)amino]-2-tert-butyl-4-{5-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}chromenium.


lucifer yellow carbohydrazide dye(2-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 6-amino-2-[(hydrazinocarbonyl)amino]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid.


carbohydrate derivative

Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds.


osmoregulated periplasmic glucan

A branched glucan of 5 to 40 glucosyl residues found in the Gram-negative bacterial envelope. Can be substituted by non-sugar moieties, such as phosphoglycerol, phosphoethanolamine, phosphocholine, acetyl, succinyl and methylmalonyl. Osmoregulated periplasmic glucans show distinct structural diversity in their glucose backbones depending on the species they are produced by.


A dTDP-sugar having 6-deoxy-alpha-D-galact-3-ulose (3-dehydro-6-deoxy-alpha-D-xylo-hexose) as the sugar component.


A doubly-charged nucleotide-sugar oxoanion arsing from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-galactose; major microspecies at pH 7.3.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-D-ravidosamine arising from deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; major microspecies at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose; major microspecies at pH 7.3.


An ammonium ion resulting from the protonation of the amino group of 10-deoxymethymycin. Major species at pH 7.3.


mycinamicin III(1+)

A mycinamicin cation that is the conjugate acid of mycinamicin III, obtained by protnation of the tertiary amino group.


mycinamicin cation

An organic cation obtained by protonation of any mycinamicin.


A dicarboxylic acid monoanion obtained by deprotonation of the carboxy groups and protonation of the amino group of erythro-4-hydroxy-L-glutamic acid.


mycinamicin IV(1+)

A mycinamicin cation that is the conjugate acid of mycinamicin IV, obtained by protnation of the tertiary amino group.


mycinamicin VI(1+)

A mycinamicin cation that is the conjugate acid of mycinamicin VI, obtained by protnation of the tertiary amino group.


O-benzoylecgonine 5-carboxypentyl ester

An azabicycloalkane that consists of ecgonine having benzoyl and 5-carboxypentyl groups attached to the hydroxy and carboxy functions respectively.


1,5-dihydrocoenzyme F420-6

The 1,5-dihydro derivative of coenzyme F420-6. Species of coenzyme F420(red.) specific to Mycobacterium tuberculosis.


NDSB 221

An ammonium betaine derivative of 3-(piperidin-1-yl)propane-1-sulfonic acid. One of a group of non-detergent sulfobetaines having a sulfobetaine hydrophilic group and a short hydrophobic group that cannot aggregate to form micelles.


D-erythritol 1-phosphate

The alditol 1-phosphate that is the 1-O-phospho derivative of erythritol with D configuration.


(2S,4S)-hypoglycin B

An L-glutamyl amino acid that is (2S,4S)-hypoglycin A in which the amino group has been acylated by the gamma-carboxy group of L-glutamic acid.


barium salt

An alkaline earth salt that has barium(2+) as the cation.


3-dehydro-L-erythrose 4-phosphate

The ketoaldose phosphate that is the 4-phosphate of 3-dehydro-L-erythrose.


The ketoaldonic acid phosphate formed formally from L-erythronic acid by oxidation of the 3-hydroxy group to an oxo group and phosphorylation at the 1-hydroxy group.


A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(R)-HPODE.


The hydroperoxy fatty acid anion that is the conjugate base of hydroperoxy fatty acid anion, formed by deprotonation of the carboxy group; principal microspecies at pH 7.3.


A hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4' positions, with R and S configurations at C-2 and C-3 respectively.


The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position.


Any hydroxyisoflavone which has a hydroxy group at the 4-position of the phenyl substituent.


The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.


An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (R configuration).


rolitetracycline

A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.


D-paratose

A paratose that has D-configuration.


paratose

A dideoxyhexose that is allose in which the hydroxy groups at positions 3 and 6 have been replaced by hydrogens.


aldehydo-paratose

The open-chain form of paratose.


deoxy sugar derivative

A carbohydrate derivative formally obtained from a deoxy sugar.


deoxy oligosaccharide derivative

A deoxy sugar derivative that is a derivative of a deoxy oligosaccharide.


deoxyhexose derivative

A deoxy sugar derivative that is formally obtained from a deoxyhexose.


deoxyallose derivative

A deoxyhexose derivative that is formally obtained from a deoxyallose.


deoxygalactose derivative

A deoxyhexose derivative that is formally obtained from deoxygalactose.


deoxyglucose derivative

A deoxyhexose derivative that is formally obtained from deoxyglucose.


deoxygulose derivative

A deoxyhexose derivative that is formally obtained from deoxygulose.


deoxymannose derivative

A deoxyhexose derivative that is formally obtained from deoxymannose.


dideoxyhexose derivative

A deoxyhexose derivative that is formally obtained from a dideoxyhexose.


tetradeoxyhexose derivative

A deoxyhexose derivative that is formally obtained from a tetradeoxyhexose.


trideoxyhexose derivative

A deoxyhexose derivative that is formally obtained from a trideoxyhexose.


deoxyketohexose derivative

A deoxy sugar derivative that is formally obtained from a deoxyketohexose.


deoxyketopentose derivative

A deoxypentose sugar derivative that is formally obtained from a deoxyketopentose.


deoxyaldohexose derivative

A deoxy sugar derivative that is formally obtained from a deoxyaldopentose.


disaccharide derivative

A carbohydrate derivative that is formally obtained from a disaccharide.


aldohexose derivative

An aldose derivative that is formally obtained from an aldohexose.


deoxypentose derivative

A deoxy sugar derivative that is formally obtained from a deoxypentose.


glycosyl glycoside derivative

A disaccharide derivative that is formally obtained from a glycosyl glycoside.


L-arginyl-L-glutamic acid

A dipeptide comprising L-arginine with a L-glutamic acid residue attached to the N(1) nitrogen.


glycosylfructose derivative

A disaccharide derivative that is formally obtained from a glycosylfructose.


glycosylfucose derivative

A disaccharide derivative that is formally obtained from a glycosylfucose.


glycosylgalactose derivative

A disaccharide derivative that is formally obtained from a glycosylgalactose.


glycosylglucose derivative

A disaccharide derivative that is formally obtained from a glycosylglucose.


glycosylmannose derivative

A disaccharide derivative that is formally obtained from a glycosylmannose.


glycosylpentose derivative

A disaccharide derivative that is formally obtained from a glycosylpentose.


glycosylrhamnose derivative

A disaccharide derivative that is formally obtained from a glycosylrhamnose.


glycosylxylose derivative

A disaccharide derivative that is formally obtained from a glycosylxylose.


keto-disaccharide derivative

A disaccharide derivative that is a formally obtained from a keto-disaccharide.


monosaccharide derivative

A carbohydrate derivative that is formally obtained from a monosaccharide.


aldose derivative

A monosaccharide derivative that is formally obtained from an aldose.


D-aldose derivative

An aldose derivative that has D-configuration.


aldoheptose derivative

An aldose derivative that is formally obtained from an aldoheptose.


aldooctose derivative

An aldose derivative that is formally obtained from an aldooctose.


aldopentose derivative

An aldose derivative that is formally obtained from an aldopentose.


aldotetrose derivative

An aldose derivative that is formally obtained from an aldotetrose.


erythrose derivative

An aldotetrose derivative that is formally obtained from erythrose.


threose derivative

An aldotetrose derivative that is formally obtained from threose.


aldotriose derivative

An aldose derivative that is formally obtained from an aldotriose.


anhydro sugar derivative

A monosaccharide derivative that is formally obtained from an anhydro sugar.


anhydrohexose derivative

An anhydro sugar derivative that is formally obtained from an anhydrohexose.


glycal derivative

An anhydro sugar derivative that is formally obtained from a glycal.


dialdose derivative

A monosaccharide derivative that is formally obtained from a dialdose.


diketoaldonic acid derivative

A monosaccharide derivative that is formally obtained from a diketoaldonic acid.


heptose derivative

A monosaccharide derivative that is formally obtained from a heptose.


ketoheptose derivative

A heptose derivative that is formally obtained from a ketoheptose.


hexose derivative

A monosaccharide derivative that is formally obtained from a hexose.


D-hexose derivative

A hexose derivative that has D-configuration.


D-aldohexose derivative

An aldohexose derivative that has D-configuration.


Monoanion of UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine arising from deprotonation of the diphosphate and protonation of the amino function; major species at pH 7.3.


etoricoxib

A member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively.


ketoaldohexose derivative

A hexose derivative that is formally obtained from a ketoaldohexose.


ketohexose derivative

A hexose derivative that is formally obtained from a ketohexose.


ketoaldonic acid derivative

A monosaccharide derivative that is formally obtained from a ketoaldonic acid.


ascorbic acid derivative

A ketoaldonic acid derivative that is formally obtained from an ascorbic acid.


ketoaldose derivative

A monosaccharide derivative that is formally obtained from a ketoaldose.


ketoaldopentose derivative

A ketoaldose derivative that is formally obtained from a ketoaldopentose.


ketoaldotetrose derivative

A ketoaldose derivative that is formally obtained from a ketoaldotetrose.


ketoaldotriose derivative

A ketoaldose derivative that is formally obtained from a ketoaldotriose.


ketooctose derivative

A ketose derivative that is formally obtained from a ketooctose.


ketose derivative

A monosaccharide derivative that is formally obtained from a ketose.


sedoheptulose derivative

A ketoheptose derivative that is formally obtained from sedoheptulose.


allylmercaptomethylpenicilloyl group

An organyl group formed from nucleophilic cleavage of the beta-lactam ring of penicillin O.


ketopentose derivative

A ketose derivative that is formally obtained from a ketopentose.


ketotetrose derivative

A ketose derivative that is formally obtained from a ketotetrose.


ketotriose derivative

A triose derivative that is formally obtained from ketotriose.


octose derivative

A monosaccharide derivative that is formally obtained from an octose.


pentose derivative

A monosaccharide derivative that is formally obtained from a pentose.


all-trans-retinyl ester

A retintinyl ester in which all double bonds of the retinyl side-chain have trans-configuration.


tetrose derivative

A monosaccharide derivative that is formally obtained from a tetrose.


dimethoxyphenylpenicilloyl group

An organyl group formed from nucleophilic cleavage of the beta-lactam ring of methicillin.


triose derivative

A monosaccharide derivative that is formally obtained from a triose.


uronic acid derivative

A monosaccharide that is formally obtained from a uronic acid.


glycodiaosylceramide

An oligoglycosylceramide in which the oligoglycosyl component is derived from the cyclic form of a disaccharide (or derivative).


The ammonium ion formed from 4-amino-5-aminomethyl-2-methylpyrimidine by protonation of the primary amino group; principle microspecies at pH 7.3.


Dianion of UDP-4-amino-UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose arising from deprotonation of the diphosphate; major species at pH 7.3.


The penicilloate(2-) species that is the dianion formed from benzylpenicilloic acid by deprotonation of both carboxy groups. It is the major microspecies present at pH 7.3.


acyl-GPI

A glycosylphosphatidylinositol that can be attached to the C-terminal amino acid of a mature protein during posttranslational modification.  The phosphatidylinositol group is linked through a carbohydrate-containing linker (glucosamine and mannose glycosidically bound to the inositol residue) and via an ethanolamine phosphate bridge to the C-terminal amino acid, while the two fatty acids within the hydrophobic phosphatidylinositol group anchor the protein to the cell membrane.


A UDP-amino sugar having 4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine as the amino sugar component.


beta-L-altrose

Pyranose form of altrose in beta-L configuration


A UDP-amino sugar having 2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose as the amino sugar component.


alditol derivative

A carbohydrate derivative that is formally obtained from an alditol.


glycosyl alditol derivative

An alditol derivative that is formally obtained from a glycosyl alditol.


galactosylglycerol derivative

A glycosyl alditol derivative that is formally obtained from a galactosylglycerol.


glucosylglycerol derivative

A glycosyl alditol derivative that is formally obtained from a glucosylglycerol.


glycosylglycerol derivative

A glycosyl alditol derivative that is formally obtained from a glycosyl glycerol.


digalactosylglycerol derivative

A glycosylglycerol derivative that is formally obtained from a digalactosylglycerol.


heptitol derivative

An alditol derivative that is formally obtained from a heptitol.


hexitol derivative

An alditol derivative that is formally obtained from a hexitol.


2-deoxyhexitol derivative

A hexitol derivative that is formally obtained from a 2-deoxyhexitol.


galactitol derivative

A hexitol derivative that is formally obtained from a galactitol.


glucitol derivative

A hexitol derivative that is formally obtained from a glucitol.


pentitol derivative

An alditol derivative that is formally obtained from a pentitol.


tetritol derivative

An alditol derivative that is formally obtained from a tetritol.


carbohydrate acid derivative

A carbohydrate derivative that is formally obtained from a carbohydrate acid.


aldaric acid derivative

A carbohydrate acid derivative that is formally obtained from an aldaric acid.


hexaric acid derivative

An aldaric acid derivative that is formally obtained from a hexaric acid.


pentaric acid derivative

An aldaric acid derivative that is formally obtained from a pentaric acid.


tetraric acid derivative

An aldaric acid derivative that is formally obtained from a tetraric acid.


aldonic acid derivative

A carbohydrate acid derivative that is formally obtained from an aldonic acid.


hexonic acid derivative

An aldonic acid derivative that is formally obtained from a hexonic acid.


alpha-guaiene

A carbobicyclic compound and sesquiterpene that is 1,2,3,4,5,6,7,8-octahydroazulene which is substituted by methyl groups at positions 1 and 4 and by a (prop-1-en-2-yl group at position 7 (the 1S,4S,7R enantiomer).


viridiflorene

A carbotricyclic sesquiterpene obtained from several natural sources, including Australian Tea Tree oil (Melaleuca alternifolia.)


An isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites.


(-)-cubebol

A tertiary alcohol resulting from the formal addition of water to the double bond of alpha-cubebene.


delta-guaiene

A carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R enantiomer).


A member of the class of ureas that is 1-tert-butylurea in which one of the hydrogens attached to N(3) is substituted by a pyrido[2,3-d]pyrimidin-7-yl group, which is itself substituted at positions 2 and 6 by a 4-(diethylamino)butyl]amino group and a 3,5-dimethoxyphenyl group, respectively. It is a FGF/VEGF receptor tyrosine kinase inhibitor.


An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.


masitinib

A member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor.


infigratinib

A member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor.


midostaurin

An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.


fexagratinib

A member of the class of  benzamides  that is a carboxamide resulting from the formal condensation of the carboxy group of 4-(cis-3,5-dimethylpiperazin-1-yl)benzoic acid with the amino substituent of 5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-amine. It is an inhibitor of the fibroblast growth factor receptor (FGFR).


pentonic acid derivative

An aldonic acid derivative that is formally obtained from a pentonic acid.


tetronic acid derivative

An aldonic acid derivative that is formally obtained from a tetronic acid.


trionic acid derivative

An aldonic acid derivative that is formally obtained from a trionic acid.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA; major species at pH 7.3.


shionone

A tetracyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 4bbeta, 6aalpha, 8beta, 10abeta and 12a positions, by a 4-methylpent-3-enyl group at the 8alpha position, and with an oxo group at position 2.


parkeol

A tetracyclic triterpenoid comprised of a lanostane skeleton which is 3beta-hydroxylated and has double bonds at the 9(11)- and 24-positions.


achilleol B

A tricyclic triterpenoid formed probably by cyclisation of (3S)-2,3-epoxy-2,3-dihydrosqualene to form an olean-13-yl cation with subsequent cleavage of the 8-14 and 9-10 bonds.


GLUTINOL

A pentacyclic triterpenoid that is picene which has been fully hydrogenated except for a double bond between the 4a and 5 positions and is substituted by methyl groups at the 4, 4, 6bbeta, 8abeta, 11, 11, 12balpha and 14bbeta positions, and by a hydroxy group at the 3beta position.


baccharis oxide

A pentacyclic triterpenoid that is perhydrochrysene which is substituted by methyl groups at positions 1, 1, 4bbeta, 6aalpha, 8beta and 10abeta positions, by a 4-methylpent-3-enyl group at the 8alpha position, and with a beta-oxygen bridge between the 2 and the 4a positions.


alpha-seco-amyrin

A triterpenoid that is (2S)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol substituted by methyl groups at the 1, 1, 4a, and 6 positions and substituted at position 5 by a 2-[(4aR,7R,8S,8aR)-2,4a,7,8-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl group.


marneral

A triterpenoid and aldehyde that is 3-cyclohexylpropanal in which the cyclohexyl group is substituted by methyl groups at positions 2 and 3, by an (E,E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl group at position 2, and by a propan-2-ylidene group at position 6 (the 1S,2R,3R-enantiomer).


beta-seco-amyrin

A triterpenoid that is (2S)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-ol substituted by methyl groups at the 1, 1, 4a, and 6 positions and substituted at position 5 by a 2-[(4aR,8aR)-2,4a,7,7-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl group.


delta-amyrin

A pentacyclic triterpenoid that is oleanane which has a double bond between positions 13 and 18, and in which the hydrogen at the 3beta position is replaced by a hydroxy group.


A  tirucallane triterpenoid that is tirucalla-7,24-diene substituted by a beta-hydroxy group at position 3.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 3-hydroxy-3-phenylpropionic acid.


sulfur-containing amino-acid anion

A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated).


branched-chain amino-acid anion

A branched-chain amino acid whose alpha-carboxylic acid group is ionized.


modified amino acid anion

A modified amino acid whose alpha carboxylic acid group is ionized (not protonated).


aromatic amino-acid anion

An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated).


arsonoacetic acid anion

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of arsonoacetic acid.


ectoinate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ectoine.


A benzenesulfonate resulting from the deprotonation of both the carboxy group and the sulfo group of 4-carboxy-4'-sulfoazobenzene; the major species at pH 7.3.


iodothyroninate

An iodothyronine whose alpha carboxylic acid group of the tyrosine is ionized (not protonated).


A dicarboxylic acid monoamide obtained by formal condensation of the anilino group of P-(4-aminobenzyl)-N-(4-nitrophenyl)phosphonamidic acid with one of the carboxy groups of glutaric acid.


A univalent carboacyl group formed by loss of OH from the carboxy group of (3-bromo-4-hydroxy-5-nitrophenyl)acetic acid.


A member of the class of phenylacetic acids in which the phenyl group is substituted by bromo, hydroxy, and nitro groups at position 3, 4, and 5 respectively.


An azide carrying a (3-bromo-4-hydroxy-5-nitrophenyl)acetyl substituent.


A univalent carboacyl group formed by loss of OH from the carboxy group of 6-[(3-bromo-4-hydroxy-5-nitrophenyl)acetamido]caproic acid.


An N-acylamino acid that consists of 6-aminohexanoic acid bearing an N-(3-bromo-4-hydroxy-5-nitrophenyl)acetyl substituent.


glyphosine

A tertiary amino compound that consists of glycine bearing two N-phosphonomethyl substituents.


N-(phosphonomethyl)iminodiacetic acid

A tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent.


A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively.


An azatricycloalkane that is tricyclo[6.2.1.1(3,6)]dodecane in which the four bridgehead CH groups are replaced by nitrogen atoms. It is a small-molecule BAX agonist.


A branched heptasaccharide glycosyl group consisisting of three D-mannosyl residues and four N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


azatricycloalkane

An organic heterotricyclic compound containing one or more nitrogen atoms as part of the ring system.


A dithioloquinoxaline that is [1,3]dithiolo[4,5-b]quinoxaline in which both the hydrogens at position 2 are substituted by amino groups.


A branched octasaccharide glycosyl group consisisting of one galactosyl residue, three D-mannosyl residues and four N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


A polycyclic cage that is the S,S-dioxide of 9-thia-1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane.


A branched nonasaccharide glycosyl group consisisting of one galactosyl residue, three D-mannosyl residues and five N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


A branched decasaccharide glycosyl group consisisting of two galactosyl residues, three D-mannosyl residues and five N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


digoxigenin monodigitoxoside

A steroid saponin that consists of digoxigenin having a digitoxosyl residue attached at position 3.


A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3alpha,- 12beta- and 14beta-positions.


digoxigenin 3,12-diacetate

A steroid ester that is the 3,12-diacetyl derivative of digoxigenin.


A branched undecasaccharide glycosyl group consisisting of three galactosyl residues, three D-mannosyl residues and five N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


A branched dodecasaccharide glycosyl group consisisting of one sialyl residue, three galactosyl residues, three D-mannosyl residues and five N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


A branched tridecasaccharide glycosyl group consisisting of one fucosyl residue, one sialyl residue, three galactosyl residues, three D-mannosyl residues and five N-acetylglucosamine residues, one of which is at the reducing end and commonly bonded to an amino acid residue.


beta-D-Gal-(1->4)-beta-D-Xyl-yl group

A disaccharide glycosyl group consisting of a D-galactosyl group linked 1->4 to a D-xylosyl group.


A linear trisaccharide glycosyl group consisting of two galactosyl residues linked to a xylosyl residue at the reducing end.


gitoxigenin 3-acetate

A steroid ester that is the 3-acetyl derivative of gitoxigenin.


A linear tetrasaccharide glycosyl group consisting of one galacturonic acid resiue and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear pentasaccharide glycosyl group consisting of one N-acetylgalactosamine residue, one galacturonic acid residue, one fucosyl residue and two galactosyl residues linked to a xylosyl residue at the reducing end.


oleandrigenin monodigitoxoside

A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.


oleandrigenin

A steroid ester that is the 16-acetyl derivative of gitoxigenin.


A linear hexasaccharide glycosyl group consisting of one N-acetylgalactosamine residue, two glucuronic acid residues and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues, two glucuronic acid residues and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (one of which is sulfated at the 6-position), two glucuronic acid residues and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (one of which is sulfated at the 4-position), two glucuronic acid residues and two galactosyl residues linked to a xylosyl residue at the reducing end.


erysimoside

A cardenolide glycoside that consists of strophanthidin having a beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl moiety attached at position 3.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (one of which is disulfated at the 4-and 6-positions), two glucuronic acid residues and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (one of which is sulfated at the 4-position), one iduronic acid residue, one glucuronic acid residue and two galactosyl residues linked to a xylosyl residue at the reducing end.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (one of which is sulfated at the 4-position), one iduronic acid residue sulfated at the 2-position, one glucuronic acid residue and two galactosyl residues linked to a xylosyl residue at the reducing end.


A glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactose where the hydrogen of the anomeric OH group is substituted by a 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl group.


A linear heptasaccharide glycosyl group consisting of two N-acetylgalactosamine residues (both sulfated at the 4-position), one iduronic acid residue sulfated at the 2-position, one glucuronic acid residue and two galactosyl residues linked to a xylosyl residue at the reducing end.


A branched tridecasaccharide glycosyl group consisisting of one sialyl residue, three galactosyl residues (one of which is sulfated at position 6), three D-mannosyl residues and five N-acetylglucosamine residues, of which one is sulfated at position 6 and another is at the reducing end and commonly bonded to an amino acid residue.


A glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose where the hydrogen of the anomeric OH group is substituted by a 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl group.


A branched tridecasaccharide glycosyl group consisisting of one sialyl residue, three galactosyl residues, three D-mannosyl residues and five N-acetylglucosamine residues, of which one is sulfated at position 6 and another is at the reducing end and commonly bonded to an amino acid residue.


fructosyllysinate

The glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosyllysine.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 5-hydroxyectoine.


D-mannosyl-D-glycerate

The carbohydrate acid anion formed from a D-mannosyl-D-glyceric acid by deprotonation of the carboxylic acid moiety.


platinum cation

A transition element cation that is a form of platinum having had electrons removed resulting in the 2+, 3+, or 4+ cation.


The organophosphate oxoanion that is the tetraanion of TTP arising from deprotonation of the three triphosphate OH groups; major species at pH 7.3.


A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of dTMP; major species at pH 7.3.


guanyl deoxyribonucleotide oxoanion

An organophosphate oxoanion that is a guanyl 2'-deoxyribose with one or more deprotonated phosphates on either or both of the 5'- or 3'-hydroxy groups.


A glycoside that consists of beta-D-galactosyl-(1->4)-beta-D-glucose where the hydrogen of the anomeric OH group is substituted by a 3-(hexadecylsulfonyl)-2-[(hexadecylsulfonyl)methyl]propyl group.


GM3 lactam

A lactam obtained via formal condensation of the carboxy group of an N-acetylneuraminyl residue and the amino group of the adjacent galactosamine residue in the ganglioside (2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl N-acetylneuraminyl-(2->3)-beta-D-galactosaminyl-(1->4)-beta-D-glucoside.


monoamine

An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes.


ganglioside derivative

An oligoglycosylceramide that is derived from a ganglioside.


A dicarboxylic acid monoamide obtained by formal condensation of the 6-amino group of 2,6-diaminobenzimidazole with one of the carboxy groups of glutaric acid.


A zwitterion obtained by transfer of a proton from the carboxy group to position 3 of the benzimidazole ring of 5-[(2-aminobenzimidazol-6-yl)amino]-5-oxopentanoic acid.


A stilbenoid obtained by formal condensation of the amino group of (Z)-4-aminostilbene with one of the carboxy groups of glutaric acid.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid. It is a member of n-3 PUFA and by-product of alpha-linolenic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenoic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is a member of n-3 PUFA and a product of alpha-linolenic acid metabolism


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (8Z,11Z,14Z,17Z)-icosatetraenoic acid. It is a member of the n-3 PUFA and is the product of alpha-linolenic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoic acid. It is a member of the n-3 PUFA and is the product of alpha-linolenic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z)-docosatetraenoic acid. It is a member of the n-6 PUFA and is the product of linoleic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z)-octadecatetraenoic acid. It is a member of the n-3 PUFA and is the product of alpha-linolenic acid metabolism.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoic acid. It is a member of the n-6 PUFA and is the product of linoleic acid metabolism.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-(1,2-epoxy-1,2-dihydrophenyl)acetic acid.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z,18Z)-tetracosatetraenoic acid. It is a member of the n-6 PUFA and is the product of linoleic acid metabolism.


A pyrimidine ribonucleoside 5'-triphosphate in which the pyrimidine element is 5-methyluracil.


carbohydrate acid derivative anion

A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative.


An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.


An alpha-oxyketone that consists of propiophenone bearing an alpha-hydroxy substituent.


cocamidopropyl betaine

A mixture of carboxamidopropyl betaines derived from fatty acids of varying chain lengths. The principal component is lauramidopropyl betaine.


lauramidopropyl betaine

An ammonium betaine in which the the ammonium nitrogen is substituted by two methyl groups and a lauramidopropyl group.  It is the major (>50%) component of cocamidopropyl betaine.


MCI/MI

A mixture of chloromethylisothiazolinone and methylisothiazolinone.


Disperse Red 1

An azo dye with a structure consisting of nitrobenzene substituted on the 4-position of the phenyl group with a 4-[N-ethyl-N-(2-hydroxyethyl)]phenylazo group.


DIBOA

A lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3.


HBOA

A benzoxazine bearing hydroxy and oxo substituents at positions 2 and 3 respectively.


tixocortol

A steroid sulfide in which the sulfanyl group is at C-21 of a polyoxygenated derivative of pregn-4-ene.


ketoaldonate derivative

A carbohydrate acid derivative anion that is formally obtained from a ketoaldonate.


oligosaccharide derivative

A carbohydrate derivative that is formally obtained from an oligosaccharide.


tixocortol

The pivalate thioester of tixocortol.


hexasaccharide derivative

An oligosaccharide derivative that is formally obtained from a hexasaccharide.


pentasaccharide derivative

An oligosaccharide derivative that is formally obtained from a pentasaccharide.


tetrasaccharide derivative

An oligosaccharide derivative that is formally obtained from a tetrasaccharide.


heptasaccharide derivative

An oligosaccharide derivative that is formally obtained from a heptasaccharide.


The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.


lactucaxanthin

A tunaxanthin that consists of epsilon,epsilon-carotene bearing hydroxy substituents at positions 3 and 3' (the 3S,3'S,6S,6'S-diastereomer).


A polymer composed of 10-formyltetrahydrofolyl polyglutamate macromolecules.


trisaccharide derivative

An oligosaccharide derivative that is formally obtained from a trisaccharide.


guanyl deoxyribonucleotide

A purine 2'-deoxyribonucleotide where the purine is guanine.


phenyl N-formyl-L-methioninate

The alpha-amino acid ester that is the phenyl ester of N-formylated L-methionine.


phenyl N-formyl-L-norleucinate

The alpha-amino acid ester that is the phenyl ester of N-formylated L-norleucine.


maltose 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of maltose 1-phosphate; major species at pH 7.3.


lamivudine

A monothioacetal that consists of cytosine having a (2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl moiety attached at position 1. An inhibitor of HIV-1 reverse transcriptase, it is used as an antiviral in the treatment of AIDS and hepatitis B.


iopromide

A dicarboxylic acid diamide that consists of N-methylisophthalamide bearing three iodo substituents at positions 2, 4 and 6, a methoxyacetyl substituent at position 5 and two 2,3-dihydroxypropyl groups attached to the amide nitrogens. A water soluble x-ray contrast agent for intravascular administration.


A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 18.


lactucin

An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.


ribavirin

A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad spectrum of activity against DNA and RNA viruses.


stavudine

A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase


1-palmitoylglycerol 3-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerol 3-phosphate; major species at pH 7.3.


cabazitaxel

A tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly.


eribulin

A fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage


etravirine

An aminopyrimidine that consists of 2,6-diaminopyrimidine bearing a bromo substituent at position 5, a 4-cyano-2,6-dimethylphenoxy substituent at position 4 and having a 4-cyanophenyl substituent attached to the 2-amino group. NNRTI of HIV-1, binds directly to RT and blocks RNA-dependent and DNA-dependent DNA polymerase activities


LACTULOSE

A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy.


A hydroxy fatty acid anion that is the conjugate base of 18-hydroxyarachidonic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


maltose 1-phosphate

A maltose phosphate having the phosphate group located at the 1-position.


An N-glycosyl compound that consists of any triazole having a glycosyl residue attached at position 1.


A 1-glycosyltriazole in which the glycosyl residue is specified as ribosyl.


A tertiary amino compound in which nitrogen is substituted by a methyl group, a 5-carboxypentyl group and a 4-[2-(4-cyanophenyl)vinyl]phenyl group.


A fatty acid derivative consisting of valeric acid substituted at C-5 with an N-(1-phenylcyclohexyl)amino group.


levofloxacin

An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.


fludarabine phosphate

A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas.


An  organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthen-12-one substituted by hydroxy groups at positions 5 and 9, a methoxy group at position 10, two methyl groups at position 2, a prenyl group at position 11 and an oxo group at position 12.


ixabepilone

A macrocycle that is a lactam analogue of epothilone B. Binds directly to beta-tubulin subunits on microtubules, leading to suppression of microtubule dynamics.


levofolinic acid

The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.


linezolid

An organofluorine compound that consists of 1,3-oxazolidin-2-one bearing an N-3-fluoro-4-(morpholin-4-yl)phenyl group as well as an acetamidomethyl group at position 5. A synthetic antibacterial agent that inhibits bacterial protein synthesis by binding to a site on 23S ribosomal RNA of the 50S subunit and prevents further formation of a functional 70S initiation complex.


mefloquine

A racemate composed of (+)-(11R,2'S)- and (-)-(11S,2'R)-enantiomers of mefloquine. An antimalarial agent which acts as a blood schizonticide; its mechanism of action is unknown.


misoprostol (methyl ester)

A diastereoisomeric mixture composed of approximately equal amounts of a double racemate of four of the sixteen possible diastereoisomers of methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that is racemic prostaglandin E1 which is lacking the hydroxy group at position 15, but which has an additional hydroxy group at position 16. It is a synthetic prostaglandin E1 analogue, used in the treatment of gastric and duodenal ulcers. A weak abortifacient, it is also used for cervical ripening prior to surgical termination of pregnancy. The (11R,16S)-diastereoisomer is the pharmacologically active form.


moxifloxacin

A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.


nelarabine

A purine nucleoside in which O-methylguanine is attached to arabinofuranose via a beta-N(9)-glycosidic bond. Inhibits DNA synthesis and causes cell death; a prodrug of 9-beta-D-arabinofuranosylguanine (ara-G).


nevirapine

A dipyridodiazepine that is  5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.


pemetrexed

An N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).


pergolide

A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.


pravastatin

A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.


propafenone

An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.


rasagiline

An indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor.


saquinavir

An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.


sotalol

A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.


succimer

A sulfur-containing carboxylic acid that is succinic acid bearing two mercapto substituents at positions 2 and 3. A lead chelator used as an antedote to lead poisoning.


telbivudine

A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase.


tenofovir

A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.


tesamorelin

A polypeptide that is a synthetic analogue of human GRF (Growth Releasing Factor) comprised of the 44 amino-acid sequence of human GRF with a hex-3-enoyl moiety attached to the tyrosine residue at the N-terminal part of the molecule. It is used to stimulate human GRF receptors.


tinidazole

1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group.  It is used as an antiprotozoal, antibacterial agent.


tipranavir

A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.


tizanidine

2,1,3-Benzothiadiazole substituted at C-4 by a Delta(1)-imidazolin-2-ylamino group and at C-4 by a chloro group.  It is an agonist at alpha2-adrenergic receptor sites.


tolcapone

Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.


topiramate

A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.


topotecan

A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.


triptorelin

An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-tryptophyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It is an agonist analogue of gonadotropin-releasing hormone.


valdecoxib

A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.


valganciclovir

The L-valinyl ester of ganciclovir, into which it is rapidly converted by intestinal and hepatic esterases. It is a synthetic analogue of 2'-deoxyguanosine.


vemurafenib

A pyrrolopyridine that is 1H-pyrrolo[2,3-b]pyridine which is substituted at position 5 by a p-chlorophenyl group and at positions 3 by a 3-amino-2,6-difluorobenzoyl group, the amino group of which has undergone formal condensation with propane-1-sulfonic acid to give the corresponding sulfonamide. An inhibitor of BRAF and other kinases.


vigabatrin

A gamma-amino acid having a gamma-vinyl GABA structure. It is an irreversible inhibitor of gamma-aminobutyric 664 acid transaminase


laminarin

A polysaccharide composed of beta-(1->3)-linked glucose residues containing sporadic beta-(1->6)-linkages as branch points or inter-residue linkages and 2-3% D-mannitol at some reducing termini.


A cholestanoid that consists of 3-oxocholest-4-ene bearing a hydroxy substituent at position 26.


A steroid that consists of androstane having double bonds at positions 1 and 4, two keto groups at positions 3 and 17 and a hydroxy group at position 9.


An ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries a beta-configured hydroxy group at C-2.


An optically active twelve-membered tetraazamacrocycle having a carboxymethyl group attached to each of the nitrogens and a 4-(2-bromoacetamido)benzyl group at the 2-position.


9-hydroxy steroid

A hydroxy steroid having a hydroxy group located at position 9.


A linear pentasaccharide glycosyl group consisisting of one N-acetylglucosamine residue, one glucuronic acid residue and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear hexasaccharide glycosyl group consisisting of one N-acetylglucosamine residue, two glucuronic acid residues and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


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


A linear heptasaccharide glycosyl group consisisting of two N-acetylglucosamine residues, two glucuronic acid residues and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear octasaccharide glycosyl group consisisting of two N-acetylglucosamine residues, three glucuronic acid residues and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


An ammonium ion resulting from the protonation of the nitrogen of propafenone.


A linear octasaccharide glycosyl group consisisting of two glucosamine residues, one of which is N-acetylated, three glucuronic acid residues and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear octasaccharide glycosyl group consisisting of three glucuronic acid residues, two glucosamine residues, both sulfated on nitrogen, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear octasaccharide glycosyl group consisisting of two glucuronic acid residues, two glucosamine residues, both sulfated on nitrogen, one idouronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear octasaccharide glycosyl group consisisting of two glucuronic acid residues, two glucosamine residues, both sulfated on nitrogen, one idouronic acid residue sulfated on O-2, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group.


A pimarane diterpenoid that is pimarane which has been dehyrogenated to introduce double bonds at positions 7-8 and 15-16, which has a beta-hydrogen in place of an alpha-hydrogen at position 9, and in which one of the hydrogens of the beta-methyl group at position 4 has been replaced by a hydroxy group.


A linear octasaccharide glycosyl group consisisting of two glucuronic acid residues, one iduronic acid residue sulfated on O-2, two glucosamine residues, both sulfated on nitrogen and with one also sulfated at O-3, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A pimarane diterpenoid resulting from the oxidation of primary alcohol group of 9beta-pimara-7,15-dien-19-ol to the corresponding aldehyde.


A monocarboxylic acid anion resulting from the deprotonation of 9beta-pimara-7,15-dien-19-oic acid; the major species at pH 7.3


A monocarboxylic acid anion resulting from the deprotonation of the carboxylic acid group of pravastatin.


A linear octasaccharide glycosyl group consisisting of two iduronic acid residues, one of which is sulfated on O-2,  two glucosamine residues, both sulfated on nitrogen and with one also sulfated at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A diterpenoid that is the 11alpha-hydroxy-derivative of ent-cassa-12,15-diene.


A taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha hydrogen has been replaced by an acetoxy group and the 10beta and 14beta hydrogens by hydroxy groups.


TAXUSIN

A taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha, 9alpha, 10beta and 13alpha hydrogens have been replaced by acetoxy groups. It is a prominent secondary metabolite of yew heartwood.


A taxane diterpenoid that is taxusin in which the hydrogen at the 7beta position is replaced by a hydroxy group.


A linear octasaccharide glycosyl group consisisting of two iduronic acid residues, one of which is sulfated on O-2, two glucosamine residues, both sulfated on nitrogen and with one also sulfated at O-3 and the other sulfated at O-6, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


dipyridodiazepine

An organic heterotricyclic compound whose skeleton consists of a diazepine ring which is fused to two pyridine rings.


An aldehyde hydrate resulting from the addition of water to the aldehyde group of abietal.


A linear octasaccharide glycosyl group consisisting of two iduronic acid residues, one of which is sulfated on O-2, two glucosamine residues, both sulfated on nitrogen and at O-6 and with one also sulfated at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


lamotrigine

A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6.


DIBOA beta-D-glucoside

A beta-D-glucoside having (R)-2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one as the anomeric substituent.


TRIBOA beta-D-glucoside

A beta-D-glucoside having (R)-2,4,7-trihydroxy-2H-1,4-benzoxazin-3(4H)-one as the anomeric substituent.


A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether.


A doubly-charged nucleotide-sugar oxoanion arsing from deprotonation of the diphosphate OH groups of dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose; major microspecies at pH 7.3.


erythromycin D(1+)

An erythromycin cation resulting from the protonation of the tertiary amino group of erythromycin D; the major species at pH 7.3.


A branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronate residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two non-stoichiometric O-acetyl groups and one non-stoichiometric hydroxybutanoyl group.  Note that the structure shown and its molfile represent only one of the possible substitution patterns.


A branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronic acid residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two pyruvyl and two non-stoichiometric O-acetyl groups, and one non-stoichiometric hydroxybutanoyl group. Note thet the structure shown and its molfile represent only one of the possible substitution patterns.


CMP-pseudaminate

A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-pseudaminic acid.


mefloquine

An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate.


A labdane diterpenoid in which the labdane skeleton has double bonds at C-7 and C-13 (the latter with E-stereochemistry) and carries a hydroxy group at the terminal C-15 atom.


(R,S)-MEFLOQUINE

An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.


An oligonucleotide comprised of 7'-methylguanosine connected via a triphosphate linkage from its 5'-position to the 5'-position of a ribonucleotide, in turn connected through a (3'->5') triphosphate linkage to a chain of (3'->5') triphosphate-linked ribonucleotide residues. The number of nucleotide residues in the chain is between 1 and 8.


An oligonucleotide comprised of a 5'-diphosphonucleotide connected via a (3'->5') triphosphate-linkage to a chain of (3'->5') triphosphate-linked ribonucleotide residues. The number of nucleotide residues in the chain is between 1 and 8.


A diadenosyl hexaphosphate in which the two adenosin-5'-yl groups are attached at the P(1) and P(6) positions.


A 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate that has 1E,2Z geometry.


A beta-hydroxyketone that is 3-hydroxycyclopentanone in which a hydrogen at position 4 is replaced by a (1E)-4-hydroxy-4-methyloct-1-en-1-yl group and a hydrogen at position 5 is replaced by a 7-methoxy-7-oxoheptyl group.


A dioxo monocarboxylic acid anion that is the conjugate base of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid.


An organic cation that is the conjugate acid of D-synephrine, arising from protonation of the secondary amino group; major species at pH 7.3.


A methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8S,11S,12S,16R-configuration. It is the pharmacologically active diastereoisomeric component of misoprostol.


gamma-curcumene

A sesquiterpene that is cyclohexa-1,3-diene which is substituted by a methyl group at position 1 and a 6-methylhept-5-en-2-yl group at position 4 (the R enantiomer).


pyrrolidinopiperidine

Any organic heterobicyclic compound containing ortho-fused pyrrolidine and piperidine rings.


A methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8S,11S,12S,16R-configuration. It is the enantiomer of the pharmacologically active diastereoisomeric component of misoprostol.


A methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8S,11S,12S,16S-configuration. It is a pharmacologically inactive diastereoisomeric component of misoprostol.


(-)-alpha-cuprenene

A sesquiterpene that consists of cyclohexa-1,3-diene bearing a methyl substituent at position 1 and an (S)-1,2,2-trimethylcyclopent-1-yl group at position 4.


avermitilol

A carbotricyclic compound that consists of decahydro-1H-1H-cyclopropa[a]naphthalene bearing four methyl substituents at position 1, 1, 3a and 7 as well as a hydroxy substituent at position 4 (the (1aR,3aS,4S,7R,7aS,7bR)-diastereomer).


(-)-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 (the 1R,8aS-enantiomer).


(+)-Tau-muurolol

A cadinane sesquiterpenoid that consists of 4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1R,4R,4aS,8aR)-configuration.


A methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate that has 8R,11R,12R,16R-configuration. It is a pharmacologically inactive diastereoisomeric component of misoprostol.


An ammonium ion resulting from the protonation of the piperidine nitrogen of pergolide.


A diterpene derived from labdane by dehydrogenation across the C(8)-C(17), C(12)-C(13) and C(14)-C(15) bonds.


A diterpene derived from pimarane by dehydrogenation across the  C(8)-C(14) and C(15)-C(16) bonds


BICYCLOGERMACRENE

A sesquiterpene derived from germacrane by dehydrogenation across the C(1)-C(10) and C(4)-C(5) bonds and cyclisation across the C(8)-C(9) bond.


A sesquiterpene that consists of (1S,5R)-2-methylbicyclo[3.1.0]hex-2-ene having a (2R)-6-methylhept-5-en-2-yl group attached at position 5.


sesquithujene

A sesquiterpene that consists of (1S,5R)-2-methylbicyclo[3.1.0]hex-2-ene having a (2S)-6-methylhept-5-en-2-yl group attached at position 5.


baruol

A tetracyclic triterpenoid that is chrysene which has been fully hydrogenated except for a double bond between the 12 and 12a positions and which is substituted by methyl groups at positions 1, 1, 4b, 6a, 8 and 10a positions, and by a 4-methylpent-3-en-1-yl group at position 8 (the 2S,4aS,4bR,6aS,8R,10aR,10bS-diastereoisomer). It has been isolated from the root bark of the Panamanian tree Maytenus blepharodes.


7-methylguanosine 5'-diphosphate(2-)

A doubly-charged organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of 7-methylguanosine 5'-diphosphate(1+); major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of 8-oxo-dGDP; major species at pH 7.3.


tenofovir disoproxil

An organic phosphonate that is the disoproxil ester of tenofovir. A prodrug for tenofovir, an HIV-1 reverse transcriptase inhibitor, tenofovir disoproxil is used as the fumaric acid salt in combination therapy for the treatment of HIV infection.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3,3'-azobis(6-hydroxybenzoic acid) (olsalazine).


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


neuroprotective agent

Any compound that can be used for the treatment of neurodegenerative disorders.


cis-4-hydroxy-L-proline zwitterion

An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group cis-4-hydroxy-L-proline; major species at pH 7.3.


A purine 2'-deoxyribonucleoside 5'-diphosphate having 8-oxoguanine as the nucleobase.


7-methylguanosine 5'-diphosphate

A guanosine 5'-phosphate that consists of guanosine 5'-diphosphate bearing a 7-methyl substituent and having a negatively charged diphosphate group.


lancerin

A C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, and 7 and a 1,5-anhydro-D-glucitol moiety at position 1.


7-methylguanosine 5'-diphosphate(1+)

A guanosine 5'-phosphate that consists of guanosine 5'-diphosphate bearing a 7-methyl substituent.


9beta-pimara-7,15-dien-19-oic acid

A pimarane diterpenoid resulting from the oxidation of primary alcohol group of 9beta-pimara-7,15-dien-19-ol to the corresponding carboxylic acid.


Any alcohol in which two hydroxy groups are bonded to the same atom.


aldehyde hydrate

A 1,1-diol resulting from the formal addition of water to the carbonyl group of a aldehyde.


ketone hydrate

A 1,1-diol resulting from the formal addition of water to the carbonyl group of a ketone.


(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid

A monocarboxylic acid that is (2Z,4E)-hexa-2,4-dienoic acid in which the hydrogen at position 2 is replaced by a hydroxy group.


diadenosyl hexaphosphate

A diadenosyl polyphosphate that consists of two adenosinyl moieties bridged by a hexaphosphate.


diadenosyl pentaphosphate

A diadenosyl polyphosphate that consists of two adenosinyl moieties bridged by a pentaphosphate.


diadenosyl tetraphosphate

A diadenosyl polyphosphate that consists of two adenosinyl moieties bridged by a tetraphosphate.


diadenosyl triphosphate

A diadenosyl polyphosphate that consists of two adenosinyl moieties bridged by a triphosphate.


An organophosphate oxoanion obtained by global deprotonation of the hexaphosphate OH groups of P(1),P(6)-bis(5'-adenosyl)hexaphosphate


A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).


A 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid that has 1E,2Z geometry.


A dTDP-sugar having 3-acetamido-3,6-dideoxy-alpha-D-galactopyranose (3-amino-3-deoxy-alpha-D-fucopyranose) as the sugar component.


A glycine derivative whose structure comprises a glycine core carrying an N-[5-(p-nitrobenzyloxy)-5-oxopentanoyl] substituent.


A glycine derivative whose structure comprises a glycine core carrying an N-[5-(p-nitrophenoxy)-5-oxopentanoyl] substituent.


TRIBOA

A cyclic hydroxamic acid that consists of 1,4-benzoxazine bearing three hydroxy substituents at positions 2, 4 and 7 as well as an oxo group at position 3.


A monocarboxylic acid amide  compound having an N-(5-carboxypentyl) substituent and a C-[4-(4-nitrophenoxy)-4-oxobutyl)] substituent.


An N-acylglycine whose structure comprises a glycine core carrying an N-(4-{hydroxy[(4-nitrobenzyl)oxy]phosphoryl}butanoyl) substituent.


ARTEMISINIC ACID

A monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua.


A diterpenyl phosphate that is the O-diphospho derivative of (5S,9S,10S,13E)-labda-7,13-dien-15-ol.


A class of galactoglycerolipids that consists of any 1,2-diacyl-sn-glycerol having an alpha-D-galactosyl residue attached at position 3.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both palmitoyl.


A ferrocene complex in which one of the cyclopentadienyl rings is substituted with a dimethylcarbamoyl group while the other carries a 4-carboxybutanamido group.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both oleoyl.


2,6-dinitrophenyl group

An organyl group consisting of a benzene ring with two nitro substituents at positions 2 and 6 relative to the point of attachment.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are palmitoyl and oleoyl respectively.


xylosyl group

A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of a xylose and, by extension, of a lower oligosaccharide having xylose at the reducing end.


alpha-L-fucosyl group

The fucosyl group of alpha-L configuration. A proposed epitope of blood group O antigen.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are oleoyl and palmitoyl respectively.


A 2,3-diacyl-1-alpha-D-galactosyl-sn-glycerol in which the groups at the 2- and 3-positions are both palmitoyl.


A class of galactoglycerolipids that consists of 1-alpha-D-galactosyl-sn-glycerol having unspecified acyl groups attached at position 2 and 3.


A 2,3-diacyl-1-alpha-D-galactosyl-sn-glycerol in which the groups at the 2- and 3-positions are both oleoyl.


A 2,3-diacyl-1-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are palmitoyl and oleoyl respectively.


A carboxylic ester derivative of chloroamphenicol incorporating an L-lysino group linked via a 2-oxoethyl group to the oxygen at C-3.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both stearoyl.


A 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are stearoyl and palmitoyl respectively.


A 1-acyl-3-alpha-D-galactosyl-sn-glycerol where the 1-acyl group is specified as palmitoyl.


necrosulfonamide

A sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway.


A class of galactoglycerolipids that consists of any 1-acyl-sn-glycerol having an alpha-D-galactosyl residue attached at position 3.


A 1-acyl-3-alpha-D-galactosyl-sn-glycerol where the 1-acyl group is specified as oleoyl.


A carbamoyl derivative of butyric acid which includes a 1,3-diketone functionality.


A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both palmitoyl.


A 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both oleoyl.


2-aminohexadecanoic acid

An alpha-amino fatty acid of chain length C16.


A glycopeptide obtained by formal condensation of the carboxy group of 6-O-butyrylated muramyl dipeptide with the hydroxy group of N-hydroxy-5-norbornene-2,3-dicarboxylmide.


CMP-pseudaminic acid

A CMP-sugar having pseudaminic acid as the sugar component.


A glycosylglycerol derivative in which the glycosyl moiety is alpha-D-galactosyl-(1->2)-alpha-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


(S,S)-traseolide

Traseolide in (S,S)-trans configuration.


traseolide

An indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by single methyl groups at C-2 and C-6, by an isopropyl group at C-3 and by an acetyl group at C-6.  It is a constituent of musk odorant.


A glycosylglycerol derivative in which the glycosyl moiety is alpha-D-galactosyl-(1->6)-alpha-D-galactosyl-(1->2)-alpha-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


An indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by a single methyl group at C-6, by an isopropyl group at C-3 and by a 3-carboxypropanoyl group at C-6.


A glycosylglycerol derivative in which the glycosyl moiety is alpha-D-galactosyl-(1->6)-alpha-D-galactosyl-(1->6)-alpha-D-galactosyl-(1->2)-alpha-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


A glycosylglycerol derivative in which the glycosyl moiety is D-glucosyl-(1->6)-alpha-D-galactosyl-(1->2)-alpha-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


A glycosylglycerol derivative in which the glycosyl moiety is beta-D-glucosyl-(1->6)-beta-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


An indane derivative in which the indane skeleton is substituted by an ethyl group at C-2, geminal methyl groups at C-1, by a single methyl group at C-6, by an isopropyl group at C-3 and by a 3-carboxypropanoyl group at C-6.


A glycosylglycerol derivative in which the glycosyl moiety is alpha-D-glucosyl-(1->2)-alpha-D-glucosyl attached at O-3, with O-1 and O-2 both acylated.


N-(3-oxohexanoyl)-L-homoserine lactone

An N-acyl-L-homoserine lactone having 3-oxohexanoyl as the acyl substituent.


glyco-amino-acid anion

The amino-acid anion formed by proton loss from the carboxylic acid function of a glyco-amino acid.


lenalidomide

A dicarboximide that consists of 1-oxoisoindoline bearing an amino substituent at position 4 and a 2,6-dioxopiperidin-3-yl group at position 2. Inhibits the secretion of TNF-alpha.


epoxyqueuosine

A 7-deazaguanine ribonucleoside obtained by formal epoxidation of the cyclohexene moiety of queuosine.


all-trans-4-hydroxyretinoic acid

A retinoid that consists of all-trans-retinoic acid bearing a hydroxy substituent at position 4 on the cyclohexenyl ring.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine.


A monohydroxybenzoate that is the conjugate base of 3-hydroxy-4-methoxybenzoic acid, arising from deprotonation of the carboxy group.


ISOVANILLIC ACID

A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3.


A urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position.


An isoquinoline that is 3,4-dihydroisoquinoline bearing amidino and hydroxy substituent at positions 2 and 4 respectively.


An L-lysine derivative that is N(alpha)-citryl-L-lysine having hydroxy and acetyl substituents attached to the side-chain amino group.


9-cis-4-hydroxyretinoic acid

A retinoid that consists of 9-cis-retinoic acid bearing a hydroxy substituent at position 4 on the cyclohexenyl ring.


A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2,3-didehydropristanic acid.


A imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5.


A linear heptasaccharide glycosyl group consisisting of one iduronic acid residue sulfated on O-2, two glucosamine residues, both sulfated on nitrogen and with one also sulfated at O-3 and the other sulfated at O-6, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear heptasaccharide glycosyl group consisisting of one iduronic acid residue sulfated on O-2, two glucosamine residues, one of which is sulfated on nitrogen and at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear heptasaccharide glycosyl group consisisting of one iduronic acid residue sulfated on O-2, two glucosamine residues, of which one is N-acetylated and the other is sulfated on nitrogen and at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear hexasaccharide glycosyl group consisisting of one iduronic acid residue sulfated on O-2, one glucosamine residue sulfated on nitrogen and at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear hexasaccharide glycosyl group consisisting of one iduronic acid residue, one glucosamine residue sulfated on nitrogen and at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear pentasaccharide glycosyl group consisisting of one glucosamine residue sulfated on nitrogen and at O-3, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


A linear pentasaccharide glycosyl group consisisting of one glucosamine residue, one glucuronic acid residue, and two galactose residues linked to a xylosyl residue at the reducing end and which is commonly bonded to an amino acid residue.


adenosine 5'-pentaphosphate(6-)

An organophosphate oxoanion resulting from the removal of all six protons from the phosphate groups of adenosine 5'-pentaphosphate; the major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 7-methyl-7,8-dihydroguanosine-5'-diphosphate.


An amidobenzoate that is the conjugate base of 4-acetamidobenzoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


4-acetamidosalicylic acid

A amidobenzoic acid that consists of salicylic acid bearing an acetamido substituent at position 4.


An amidobenzoate that is the conjugate base of 4-acetamidosalicylic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


1-hexadecyl-sn-glycerol 3-phosphate

A 1-alkyl-sn-glycerol 3-phosphate in which the 1-alkyl group is specified as hexadecyl.


3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid with S configuration at C-24.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z)-3-oxodocosatetraenoic acid.


The steroid acid anion formed by proton loss from the carboxy group of 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid; major micro-species at pH 7.3.


3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oate with S configuration at C-24; major microspecies at pH 7.3.