phenolic acid

Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function.


phenylpropane

Phenylpropane is a colorless liquid. The compound consists of a phenyl group attached to allyl. Phenylpropene isomerizes to trans-propenylbenzene.


aglycone

The non-sugar compound remaining after replacement of the glycosyl group from a glycoside by a hydrogen atom.


procyanidin

oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions.


peltogynoid

Peltogynoid compounds, differing from other flavonoids by the presence of a fourth ring, have been isolated from a small group of species, however, their biological activities remain to be defined.


compounds having a coumarin skeleton and having an aryl structure at the 3-position


allomelanin

Allomelanin is a type of nitrogen-free melanin most commonly found in fungi


A guanosine bisphosphate having a diphosphate at the 3'-position and a triphosphate at the 5'-position.


glycosylmonoradylglycerol

Any glycosylmonoglyceride in which the glycosyl moiety is attached to one of the primary hydroxy groups.


glycosyldiradylglycerol

Any glycerolipid that is glycerol bearing a glycosyl group and two further substituent groups - either acyl, alkyl, or alk-1-enyl - at the remaining two positions.


A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(hexanoylamino)-8-(hexylamino)-8-oxo-octyl moiety at O-1.


A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(4-pentylphenyl)amino]octyl moiety at O-1.


A synthetic alpha-galactosylsphingamide in which the galactose ring carries a (2S,3S,4R)-3,4-dihydroxy-2-(octanoylamino)-8-oxo-8-[(3-pentylphenyl)amino]octyl moiety at O-1.


inpyrfluxam

A member of the class of indanes that is indane substituted by methyl groups at positions 1,1 and 3R and by a [3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl]amino group at position 4. It is a fungicide that is a Complex II succinate dehydrogenase inhibitor, which is a functional part of the tricarboxylic acid cycle and linked to the mitochondrial electron transport chain. It exhibits high efficacy against major plant diseases including Brown Rust on wheat, Net Blotch on barley, and Black Scurf on potato.


dethiobiotin

A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position.


An alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched tetrasaccharide consisting of beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), to the mannosyl residue of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.


A branched tetrasaccharide consisting of beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), to the mannosyl residue of which has also linked (1->3) to it an alpha-D-glucuronosyl residue.


A phosphatidylcholine 42:10 in which one acyl group has 20 carbons and 4 double bonds while the other has 22 carbons and 6 double bonds (position not specified).


A mannosyl-alpha-1->6-inositol phosphorylceramide(1-) having an acyl group attached to the ceramide nitrogen and hydroxylation at C4 of the C18 sphingoid base; major species at pH 7.3.


A mannosyl-alpha-1->6-inositol phosphorylceramide(1minus) having an acyl group attached to the ceramide nitrogen and a d20:0 sphingoid base; major species at pH 7.3.


A mannosyl-alpha-1->6-inositol phosphorylceramide having an acyl group attached to the ceramide nitrogen and hydroxylation at C4 of the C20 sphingoid base; major species at pH 7.3.


An inositol phosphomannosyl-alpha-1->6-inositol-1-phosphodihydroceramide obtained by deprotonation of the free phosphate OH group of inositol phosphomannosyl-alpha-1->6-inositol-1-phospho-N-acylsphinganine; major species at pH 7.3.


An inositol phosphomannosyl-1->6-inositol-1-phosphophytoceramide obtained by deprotonation of the free phosphate OH group of inositol phosphomannosyl-1->6-inositol-1-phospho-N-acylphytosphingosine; major species at pH 7.3.


An inositol phosphomannosyl-1->6-inositol-1-phosphoceramide obtained by deprotonation of the free phosphate OH group of inositol phosphomannosyl-1->6-inositol-1-phospho-N-acylicosasphingosine; major species at pH 7.3.


diphthamide residue

An alpha-amino-acid residue derived from diphthamide.


An inositol phosphomannosyl-1->6-inositol-1-phosphophytoceramide obtained by deprotonation of the free phosphate OH group of inositol phosphomannosyl-1->6-inositol-1-phospho-N-acylicosaphytosphingosine; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any mannosylinositol phosphorylceramide; major species at pH 7.3.


An organophosphate oxoanion resulting from the deprotonation of both of the phosphate groups of alpha-mannosyl-diphosphorylinositol ceramide. The major species at pH 7.3.


name: 15(S)-15-methyl Prostaglandin F2alpha ethyl amide


lysophosphatidylcholine 15:1

A lysophosphatidylcholine in which the remaining acyl group (position unspecified) contains 15 carbons and 1 double bond.


lysophosphatidylglycerol 12:0

A lysophosphatidylglycerol in which the acyl group has a fully saturated C12 chain and is attached to the glycero moiety at either position 1 or 2.


lysophosphatidylinositol 16:1

A lysophosphatidyl-1D-myo-inositol in which the remaining acyl group (position not specified) contains 16 carbons and 1 double bond.


lysophosphatidylinositol 18:2

A lysophosphatidyl-1D-myo-inositol in which the remaining acyl group (position not specified) contains 18 carbons and 2 double bonds.


lysophosphatidylinositol 20:3

A lysophosphatidyl-1D-myo-inositol in which the remaining acyl group (position not specified) contains 20 carbons and 3 double bonds.


lysophosphatidylinositol 20:4

A lysophosphatidyl-1D-myo-inositol in which the remaining acyl group (position not specified) contains 20 carbons and 4 double bonds.


A cyclic ketone comprising cyclohexen-2-one having hydroxy groups at the 2- and 6-positions and a hydroxymethyl group at the 5-position.


phosphatidylinositol 44:0

A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 44 carbon atoms and no double bonds.


A phosphatidylcholine 35:2 in which one acyl group has 17 carbons and is fully saturated while the other has 18 carbons and 2 double bonds (position not specified).


A phosphatidylcholine 37:4 in which one acyl group has 17 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).


A phosphatidylcholine 40:8 in which one acyl group has 18 carbons and 2 double bonds while the other has 22 carbons and 6 double bonds (position not specified).


An alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched hexasaccharide consisting of beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.


A branched hexasaccharide consisting of beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue.


A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.


An alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched heptasaccharide consisting of alpha-D-glucuronosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.


A branched heptasaccharide consisting of alpha-D-glucuronosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4), (1->3), (1->4) and (1->4), to the mannosyl residue proximal to the reducing end of which has also linked (1->3) to it an alpha-D-glucuronosyl residue.


An alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched octasaccharide consisting of beta-D-glucosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), (1->4), (1->3), (1->4) and (1->4), with both mannosyl residues also having linked (1->3) to them alpha-D-glucuronosyl residues. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.


A derivative of propylamine having a methylmercapto group at the 3-position.


A branched octasaccharide consisting of beta-D-glucosyl, beta-D-mannosyl, alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->4), (1->4), (1->3), (1->4) and (1->4), with both mannosyl residues also having linked (1->3) to them alpha-D-glucuronosyl residues.


glycerophosphomethanol

The glycerol phosphate ester of a phosphomethanol.


simple oxygenated xanthones

Simple oxygenated xanthones are subdivided according to the degree of oxygenation into non-, mono-, di-, tri-, tetra-, penta-, and hexaoxygenated substances. In these xanthones the substituents are simple hydroxy, methoxy, or methyl groups. About 150 simple oxygenated xanthones have been reported.


prenylated and related xanthones

These xanthones are usually restricted to the plant species of the family Guttiferae. The major C5 unit of the substituents included the commonly found 3-methylbut-2-enyl or isoprenyl group as in isoemericellin and the less frequent 3-hydroxy-3-methylbutyl as in nigrolineaxanthone P and 1,1-dimethylprop-2-enyl as in globuxanthone, respectively.


cis-fatty acid

A cis configuration means that the two hydrogen atoms adjacent to the double bond stick out on the same side of the chain. The rigidity of the double bond freezes its conformation and, in the case of the cis isomer, causes the chain to bend and restricts the conformational freedom of the fatty acid. The more double bonds the chain has in the cis configuration, the less flexibility it has. When a chain has many cis bonds, it becomes quite curved in its most accessible conformations.


trans-fatty acid

A trans configuration in contrast to the cis, means that the adjacent two hydrogen atoms lie on opposite sides of the chain. As a result, they do not cause the chain to bend much, and their shape is similar to straight saturated fatty acids.


(S)-mosapramine

A 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one that has (S)-configuration.


(R)-mosapramine

A 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one that has (R)-configuration.


soybean oil

An oil extracted from the seeds of Glycine max. Typical fatty acid composition is 51% linoleic acid, 7-10% alpha-linolenic acid, 23% oleic acid, 10% palmitic acid and 4% stearic acid.


CYANAMIDE

A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.


A fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of nonanoyl-AMP; major species at pH 7.3.


alkyldiacylglyceride

A triradylglycerol with a single alkyl substituent and two acyl substituents at unspecified positions.


glycerophosphoglycerophosphoglycerol

A glycerophospholipid composed of two molecules of glycerol phosphate covalently linked to a molecule of glycerol, and in which each of the glycerol phosphate moieties may be esterified to one or two fatty acids.


A tertiary ammonium ion resulting from the protonation of the tertiary amino group of solanidine. Major microspecies at pH 7.3.


3-ureidoisobutyric acid

A ureidocarboxylic acid that is 2-methylpropanoic acid substituted by a carbamoylamino group at position 3.


komodoquinone B

A member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium Streptomyces sp. KS3.


KOMODOQUINONE A

An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line.


fostriecin

A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines.


nucleoside 5'-phosphate

A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated.


N-sulfo-D-glucosamine

The N-sulfoglucosamine formed by sulfating the amino group of D-glucosamine.


A fructan compound consisting of repeating (2->6)-beta-linked fructofuranose units.


uridine

A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond.


OCHRINDOLE A

A bisindole alkaloid that is phenol bearing a 3,3-dimethylallyl group at position 4, two methoxy groups at positions 3 and 6, and two indol-3-yl groups at positions 2 and 5. It is a natural product isolated from the sclerotia of Aspergillus orbraceus, with moderate activity against some insects, as well as Gram-positive bacteria.


terreazepine

A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus.


A mannosylinositol-1-phosphoceramide having phytoceramide of unknown length.


A mannosylinositol phosphorylceramide in which the acyl group is hydroxylated at position 2 and the ceramide base is hydroxylated at position 4.


A mannosylinositol phosphorylceramide in which the ceramide base is not hydroxylated at position 4. Major species at pH 7.3.


levesquamide

A polyketide-nonribosomal peptide with an isothiazolinone moiety found in Streptomyces sp. RKND-216. It has a strong selective activity against M. tuberculosis, with no cytotoxicity against mammalian cell lines.


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer in which the acyl group is hydroxylated at position 2 and the ceramide base is hydroxylated at position 4. Major species at pH 7.3.


6-aminopenicillanic acid

A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.


biscognienyne B

A member of the class of epoxides that is (1R,6S)-7-oxabicyclo[4.1.0]hept-3-ene substituted by 3-methylbut-2-en-1-yl, hydroxy, 2-methylbut-1-en-3-yn-4-yl, and hydroxy groups at positions 1, 2R, 3 and 5R. It is a meroterpenoid natural product synthesized by the Ascomycota fungus Biscogniauxia sp.


acrophiarin

A cyclic hexapeptide echinocandin antibiotic with a myristoyl side chain. It is produced by a specific strain of Penicillium arenicola and exhibits antimycotic activity.


Jasmonate derivatives

Any octanoid that is derived from jasmonate.


The organophosphate oxoanion formed from any monolysocardiolipin by deprotonation of the two phospho groups; principal species present at pH 7.3


An enyne that is pentane which carries a triple bond at position 1 and a double bond at position 3.


adenine

The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6.


A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a phenyl group. It is a  maillard reaction product identified in mushroom hydrolysates.


pyridoxine

A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid.


A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a heptyl group. It is an effective inhibitor of chemical induced carcinogenesis.


A beta-D-galactopyranosyl diglyceride in which both acyl groups have a chain length between C6 and C12.


secondary fatty alcohol

A fatty alcohol consisting of a chain of 3 to greater than 27 carbon atoms in which a hydroxy group is attached to a saturated carbon atom different from the terminal carbons. Secondary fatty alcohols may be saturated or unsaturated and may be branched or unbranched.


trihexosylceramide sulfate

An organosulfate oxoanion obtained by deprotonation of the sulfate group of any trihexosylceramide sulfate; major species at pH 7.3.


N-(fatty acyl)-ethanolamine

an N-acyl-ethanolamine where the acyl group is a fatty acyl chain with composition not specified, major species at pH 7.3.


An organic heterobicyclic compound based on a fused 1,2-thiazole and benzene bicyclic ring skeleton, with the S atom positioned adjacent to one of the positions of ring fusion.


D-ribulose 1,5-bisphosphate

A ribulose phosphate that is D-ribulose attached to phosphate groups at positions 1 and 5. It is an intermediate in photosynthesis.


cholestane conjugate

Any cholestanoid where the cholestane is conjugated.


androstane conjugate

Any androstanoid where the androstane is conjugated.


estrane conjugate

Any estranoid where the estrane is conjugated.


pregnane conjugate

Any pregnane derivative where the pregnane is conjugated.


acyl sugars

Any saccharolipid having one or more sugars bound to fatty acyl chain(s).


polyunsaturated fatty acyl-L-carnitine

Any fatty acyl-L-carnitine where the fatty acid has 2 or more unsaturations. Major species at pH 7.3


ustiloxin B

A heterodetic cyclic peptide with formula C26H39N5O12S produced by Ustilaginoidea virens fungi. It is an inhibitor of microtubule assembly.


Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. Major species at pH 7.3.


Any glycerophosphocholine having an oxidized fatty acyl component. Major species at pH 7.3.


Any 1-acyl-sn-glycero-3-phosphocholine that has an oxidized fatty acyl component. Major species at pH 7.3.


oxidized 2-acylglycerol

Any 2-acylglycerol where the fatty acyl component is oxidized.


oxidized N-(fatty acyl)-ethanolamine

Any N-acylethanolamine having an oxidized fatty acyl component.


Any lysoglycerophosphocholine having an oxidized fatty acyl chain at sn-2. Major species at pH 7.3.


Any 2-acylglycerophosphoethanolamine having an oxidized fatty acyl chain at position 2. Major species at pH 7.3.


galactobiose

Any disaccharide composed of 2 galactose moieties.


A sulfoglycolipid in which alpha,alpha-trehalose, sulfated at the 2'-position, is acylated at the 2-position with palmitoic acid, and at the 3-position with (2E,4S,6S,8S)-2,4,6,8-tetramethylhexadec-2-enoic acid.


quillate

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


quillaic acid 28-beta-D-glucoside

A beta-D-glucoside that is quillaic acid in which the carboxy group at position 28 is substituted by a beta-D-glucopyranoside group.


codeine

A  morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties.


A methyl ketone that is nonan-2-one carrying a double bond at position 5.


A phosphatidylcholine having an alpha-linolenoyl at sn-2 and a fatty acyl chain of unknown composition at sn-1. Major species at pH 7.3.


A phosphatidylcholine having an alpha-linolenoyl at sn-1 and a fatty acyl chain of unknown composition at sn-2. Major species at pH 7.3.


A phosphatidylcholine having a linoleoyl at sn-1 and a fatty acyl chain of unknown composition at sn-2. Major species at pH 7.3.


A phosphate-linked oligosaccharide analogue consisting of two 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by a (1->6)-phosphodiester linkage. It is a constituent 2-repeating-unit fragment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the disaccharide unit.


A phosphate-linked oligosaccharide analogue consisting of three 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by a (1->6)-phosphodiester linkages. It is a constituent 3-repeating-unit segment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the trisaccharide unit.


A phosphate-linked oligosaccharide analogue consisting of four 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by (1->6)-phosphodiester linkages. It is a constituent 4-repeating-unit segment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the tetrasaccharide unit.


A phosphate-linked oligosaccharide analogue consisting of five 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by (1->6)-phosphodiester linkages. It is a constituent 5-repeating-unit segment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the pentasaccharide unit.


A phosphate-linked oligosaccharide analogue consisting of six 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by (1->6)-phosphodiester linkages. It is a constituent 6-repeating-unit segment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the hexasaccharide unit.


A phosphate-linked oligosaccharide analogue consisting of seven 3(4)-O-acetyl-alpha-N-acetyl-D-mannosaminyl residues, joined by (1->6)-phosphodiester linkages. It is a constituent 7-repeating-unit segment of Neisseria meningitidis serogroup A capsular polysaccharide (MenA), the structural diagram of which shows hydroxy groups partly acetylated at either positions 3 or 4, along with parts of phosphodiester linkages which are present at both the reducing and non-reducing ends of the heptaasaccharide unit.


spiropidion

An azaspiro compound that is 1-methoxypiperidine which is fused at position 4 to the 5-position of a 1,5-dihydro-2H-pyrrol-2-one that is substituted at positions 1, 3 and 4 by methyl, 4-chloro-2,6-dimethylphenyl and (ethoxycarbonyl)oxy groups, respectively. It is a proinsecticide developed by Syngenta and used to protect a wide range of crops from some of the most damaging, difficult to control sucking pests such as aphids, whiteflies, Pysllids, armoured scales, soft scales, spider mites, rust mites, and red mites including California red scale, green peach aphid (Myzus persicae), tobacco whitefly etc.


BENZENE

A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.


An alpha-amino-acid residue anion obtained by the addition of 2 AMP residues connected by a 3'->5' phosphodiester linkage on a L-tyrosine residue; major species at pH 7.3.


An alpha-amino-acid residue anion obtained by the addition of 3 AMP residues connected by 3'->5' phosphodiester linkages on a L-tyrosine residue; major species at pH 7.3.


L-ascorbic acid 2-phosphate

An aldonolactone phosphate that is the 2-phosphate ester of L-ascorbic acid. It can stimulate collagen formation.


L-ascorbate 2-phosphate(3-)

An organophosphate oxoanion that is the trianion formed from L-ascorbic acid 2-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; major species at pH 7.3.


mineral nutrient

A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body.


A ketocholestane that is cholestane which carries an oxo group at position 3.


25-hydroxy 3-oxocholestane

A 25-hydroxy steroid that is 3-oxocholestane which carries a hydroxy group at position 25.


sodium hexacyclonate

A hydroxy monocarboxylic acid that is cyclohexane substituted by a hydroxymethyl and carboxymethyl groups at position 1.


hexacyclonate

A hydroxy monocarboxylic acid anion that is the conjugate base of hexacyclonic acid, arising from the deprotonation of the carboxy group; Major species at pH 7.3.


(Z)-but-2-ene-1,2,3-tricarboxylic acid

A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions.


2-naphthyl sulfate(1-)

An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 2-naphthyl sulfate . The major microspecies at pH 7.3.


bisphenol A sulfate(1-)

A phenyl sulfate oxoanion that is the conjugate base of bisphenol A sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


A member of the class of phenols that is phenol which is carrying an isopropyl group at position 4.


4-isopropylphenyl sulfate(1-)

A phenyl sulfate oxoanion that is the conjugate base of 4-isopropylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.


An alpha-amino-acid residue formed from N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-L-glutamine.


An alpha-amino-acid residue formed from N-[2-(3,4-dihydroxyphenyl)ethyl]-L-glutamine.


A benzamide resulting from the formal condensation of the carboxy group of 5-amino-2-methylbenzoic acid with the amino group of (1R)-1-(naphthalen-1-yl)ethan-1-amine. It is a potent noncovalent inhibitor (IC50 = 600 nM) of severe acute respiratory syndrome-coronavirus papain-like protease (SARS-CoV PLpro).


preluffariellolide A

A sesterterpenoid that is cyclohexane substituted by methyl, hydroxy, (2E,6E,10E)-1-hydroxy-3,7,11-trimethyltrideca-2,6,10-trien-13-yl, methyl and methyl groups at positions 1,1,2,3 and 3, respectively.


An alpha-amino-acid residue formed from N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine.


An L-alpha-amino acid residue residue derived from N(alpha)-gamma-L-glutamylhistamine


(S)-RETICULINE

The (S)-enantiomer of reticuline.


4-isopropylphenyl sulfate

An aryl sulfate that is benzene substituted by a propan-2-yl group at position 1 and by a sulfooxy group at position 4.


A pyrazinecarboxamide in which a 6-oxo-1,6-dihydropyrazine nucleus is substituted on C-5 by a 4-hydroxyphenyl group and on C-2 by a butylcarbamyl group. A synthetic determinant of cefadroxil, it is a promising tool for determining in vitro cross-reactivity to cefadroxil in amoxicillin-allergic patients.


CHLORTHION

An organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a chloro group at position 3 and a nitro group at position 4. It is a potent cholinesterase inhibitor and used as an insecticide for the control of a wide range of insects.


(R)-pantolactone

A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 3 and two methyl groups at position 4 (the R-stereoisomer).


dopamine quinone(1+)

A primary ammonium ion that is the conjugate acid of dopamine quinone, resulting from the protonation of the primary amino group. Major species at pH 7.3.


fumisoquin A(1+)

A primary ammonium ion that is the conjugate acid of fumisoquin A, obtained from the protonation of the amino group. Major microspecies at pH 7.3.


A glucosylglycerol phosphate consisting of sn-glycerol 3-phosphate having a beta-D-glucosyl residue attached at position 2.


fumisoquin B zwitterion

A zwitterion obtained by transfer of a proton from the sulfate to the amino group of fumisoquin B; major species at pH 7.3.


fumisoquin C(1-)

A monocarboxylic acid anion that is the conjugate base of fumisoquin C, obtained from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


A branched hexasaccharide consisting of a linear tetrasaccharide comprising beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


mosapride

A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine.


(R)-mosapride

A 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide that has (R)-configuration.


(S)-mosapride

A 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide that has (S)-configuration.


ENT-ZWITTERMICIN A

The (-)-enantiomer of zwittermicin A.


fumisoquin A

A pyridoisoquinoline that is (11aR)-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline substituted by hydoxy groups at positions 1S,7,8 and 11R, by an amino group at position 3S and an oxo group at position 4. It is produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.


fumisoquin C

An isoquinoline alkaloid produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.


fumisoquin B

A pyridoisoquinoline that is (11aR)-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline substituted by hydoxy groups at positions 1S,7 and 11R, by an amino group at position 3S, oxo group at position 4 and a sulfooxy group at position 8. It is produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.


2-naphthyl sulfate

An aryl sulfate that is naphthalene in which the hydrogen at position 2 is replaced by a sulfooxy group.


The 2-oxo monocarboxylic acid anion derived from 4-methylthio-2-oxobutanoic acid. The major microspecies at pH 7.3, it is formed from L-methionine via the action of methionine transaminase.


A 4-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-hydroxybutyric acid.


A phosphatidylcholine 28:0 in which both acyl groups have 14 carbons and fully saturated.


A phosphatidylcholine 32:1 in which one acyl group has 16 carbons and is fully saturated while the other has 16 carbons and 1 double bond (position not specified).


A phosphatidylcholine 34:1 in which one acyl group has 16 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified).


A phosphatidylcholine 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).


A phosphatidylcholine 38:4 in which one acyl group has 16 carbons and is fully saturated while the other has 22 carbons and 4 double bonds (position not specified).


A phosphatidylcholine 34:2 in which one acyl group has 16 carbons and 1 double bond while the other has 18 carbons and 1 double bond (position not specified).


A phosphatidylcholine 35:1 in which one acyl group has 17 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified).


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


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


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


A phosphatidylcholine 38:5 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 4 double bonds (position not specified).


A phosphatidylethanolamine 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).


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


A phosphatidylethanolamine 40:5 in which one acyl group has 18 carbons and is fully saturated while the other has 22 carbons and 5 double bonds (position not specified).


A phosphatidylethanolamine 38:5 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 4 double bonds (position not specified).


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


A phosphatidylinositol 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).


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


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


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


A  2-acylglycerophosphocholine in which the glycerol moiety has sn stereochemistry and which has an unspecified acyl group attached at the 2-position.


bisphenol A sulfate

An aryl sulfate that is bisphenol A in which of the hydroxy groups is substituted by a sulfooxy group. It is a metabolite of bisphenol A that is excreted in human urine.


ESMETHADONE

A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder.


methadone

A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.


cinnamaldehyde

The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.


A branched amino heptasaccharide consisting of a linear pentasaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->3), (1->3),(1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).


An alpha-D-glucoside that is the 5-aminopentyl glycoside of a branched pentasaccharide consisting of alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4) and (1->4), to the mannosyl residue of which has also linked (1->3) to it an alpha-D-glucuronosyl residue. The 5-aminopentyl group at the reducing end is a spacer to enable further conjugation to a carrier protein for immunological studies.


A branched pentasaccharide consisting of alpha-D-glucosyl, beta-D-glucosyl, beta-D-mannosyl and beta-D-glucosyl residues linked sequentially (1->3), (1->4) and (1->4), to the mannosyl residue of which has also linked (1->3) to it an alpha-D-glucuronosyl residue.


(E)-tomaymycin

The (E)-isomer of tomaymycin.


(Z)-tomaymycin

The (Z)-isomer of tomaymycin.


tyrvalin

A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.


CDP-ethanolamine

A phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.


phevalin

A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.


leuvalin

A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by isopropyl and isobutyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.


koraiol

A carbotricyclic compound that is tricyclo[7.2.0.0(2,5)]undecane which is substituted by a hydroxy group at position 6 and by methyl groups at positions 2, 6, 10 and 10 (the 1S,2R,5S,6S,9S-diastereoisomer). It is a sesquiterpenoid isolated from Pinus koraiensis.


name: Acetic acid, methoxyphenyl-, methyl ester


N-acetyl-D-tryptophan

The N-acetyl derivative of D-tryptophan.


name: Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester


A member of the class of furans that is furan substituted by methyl, acetyl and methyl groups at positions 2, 3 and 5, respectively.


CREATININE

A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine.


pyrazinone

Any pyrazine carrying one or more oxo substituents.


A branched amino octasaccharide consisting of a linear pentasaccharide comprising N-acetyl-beta-D-galactosamine, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->4), (1->3),(1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue also carries an N-acetyl-alpha-neuraminic acid residue via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino nonasaccharide consisting of a linear hexasaccharide comprising beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue proximal to the reducing end also carries an N-acetyl-alpha-neuraminic acid residue via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


trichobrasilenol

A carbobicyclic compound that is (3aS,7aS)-octahydro-1H-indene substituted by a methyl group at positions 1S, 6 and 6, and by a 1-hydroxypropan-2-ylidene group at position 4. It is a sesquiterpenoid produced by a Trichoderma terpene cyclase.


A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4.


A branched amino decasaccharide consisting of a linear heptasaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->3), (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue proximal to the reducing end also carries an N-acetyl-alpha-neuraminic acid residue via a (1->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino oligosaccharide that is an undecasaccharide derivative consisting of a linear octasaccharide comprising two N-acetyl-alpha-neuraminic acid residues, beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->8), (2->3), (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue proximal to the reducing end also carries an N-acetyl-alpha-neuraminic acid residue via a (1->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino octasaccharide consisting of a linear hexasaccharide comprising two N-acetyl-alpha-neuraminic acid residues, a beta-D-galactose residue, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->8), (2->3), (1->3),(1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino nonasaccharide consisting of a linear pentasaccharide comprising N-acetyl-beta-D-galactosamine, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue also carries an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminic acid unit via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A furancarboxylate that is the conjugate base of 2-furoic acid.


A branched amino decasaccharide consisting of a linear hexasaccharide comprising beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue also carries an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminic acid unit via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino ologosaccharide that is an amino undecasaccharide consisting of a linear heptasaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->3), (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the galactose residue proximal to the reducing end also carries an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminic acid unit via a (2->3) linkage and the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino octasaccharide consisting of a linear hexasaccharide comprising beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino nonasaccharide consisting of a linear heptasaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->3), (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


A branched amino decasaccharide consisting of a linear octasaccharide comprising two N-acetyl-alpha-neuraminic acid residues, beta-D-galactose, N-acetyl-beta-D-galactosamine and beta-D-galactose residues, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->8), (2->3), (1->3), (1->4), (1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end of which is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.


4-(beta-D-glucosyloxy)benzoic acid

A beta-D-glucoside of 4-hydroxybenzoic acid.


orotic acid

A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.


D-tagatose 1,6-bisphosphate

A ketohexose bisphosphate that is D-tagatose carrying phosphate groups at positions 1 and 6.


1,24(S)-dihydroxyvitamin D2

Metabolite of vitamin D2. It  present in the circulation of humans, cows, and rats given pharmacologic doses of vitamin D2


monomethyl fumarate

A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxy groups of fumaric acid with methanol. Is is a metabolite of dimethyl fumarate and used for the the treatment of patients with relapsing multiple sclerosis (MS). It also induces the NFE2L2 (Nrf2) transcription factor by  binding to KEAP1.


stellatate

A monocarboxylic acid anion that is the conjugate base of stellatic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.


A linear amino hexasaccharide consisting of a sequence of two N-acetyl-alpha-neuraminic acid residues, a beta-D-galactose residue, an N-acetyl-beta-D-galactosamine residue, a further beta-D-galactose residue abd a beta-D-glucose residue linked in sequence (2->8), (2->3), (1->3), (1->4) and (1->4). The oligosaccharide of ganglioside GD1c.


N-[(S)-lactoyl]-L-phenylalaninate

A N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(S)-lactoyl]-L-phenylalanine obtained from deprotonation of the carboxy group; major species at pH 7.3.


beta-citryl-L-glutamyl-L-glutamate

The conjugate base of beta-citryl-L-glutamyl-L-glutamic acid obtained from deprotonation of the carboxy groups; major species at pH 7.3.


GlyTouCan G00058XR

A composition-only glycan consisting of two hexosyl groups, one acetaminohexosyl group and one sulfate group (identities and connectivity unknown). Composition: Hex2 HexNAc1 S1.


GlyTouCan G00194GV

A composition-only glycan consisting of one acetaminohexosyl group and one 6-deoxyhexosyl group (identities and connectivity unknown). Composition: HexNAc1 dHex1.


GlyTouCan G00232ED

A composition-only glycan consisting of four hexosyl, five acetaminohexosyl, one N-acetyl-neuraminic acid and one sulfate groups (identities and connectivity unknown). Composition: Hex4 HexNAc5 NeuAc1 S1.


avenanthramide B(1-)

A hydroxybenzoate that is the conjugate base of avenanthramide B, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of SAICAr; major species at pH 7.3.


Also see doi:10.1021/ja982285+


A non-proteinogenic L-alpha-amino acid that is L-glutamine in which the hydrogens attached to the carbon gamma to the carboxy group are replaced by a methylene group.


A tricarboxylic acid anion that is the conjugate base of domoic acid, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.


coproporphyrin I(4-)

A cyclic tetrapyrrole anion obtained by deprotonation of the four carboxy groups of coproporphyrin I; major species at pH 7.3.


uroporphyrin III(8-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of uroporphyrin III; major species at pH 7.3.


uroporphyrin I(8-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of uroporphyrin I; major species at pH 7.3.


base composition glycan

A partially-defined glycan in which the number and type of monosaccharides (hexose, pentose, etc.) is known, but the identities of the individual monosaccharides and the connectivity and configuration of the anomeric linkages are not known. See http://purl.obolibrary.org/obo/GNO_00000013.


glutaric anhydride

A cyclic dicarboxylic anhydride that is oxane which carries oxo groups at positions 2 and 6. It is used as an intermediate in the production of pharmaceuticals, corrosion inhibitors, and polymers (E.g. epoxy polyesters).


A sulfated branched amino tetrasaccharide consisting of D-galactose at the reducing end with an alpha-L-fucosyl-(1->4)-[3-O-sulfo-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position.


A sulfated branched amino pentasaccharide consisting of D-glucose at the reducing end with an alpha-L-fucosyl-(1->4)-[3-O-sulfo-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety attached at the 4-position.


A sulfated linear amino tetrasaccharide consisting of D-glucose at the reducing end with a 3-O-sulfo-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety attached at the 4-position.


An organic anion that is the conjugate base of 11-oxomiltiradiene, arising from the deprotonation of the methylene group at position 14. Major species at pH 7.3.


(+)-pisiferate

A monocarboxylic acid anion that is the conjugate base of (+)-pisiferic acid, arising from the deprotonation of the carboxy group. Major species at pH 7.3.


An abietane diterpenoid that is miltiradiene which carries a formyl group at position 20. It is a metabolite of miltiradiene.


avenanthramide B

A monohydroxybenzoic acid resulting from the formal condensation of the carboxy group of ferulic acid with the amino group of 2-amino-5-hydroxybenzoic acid. It is an oat phytoalexin produced in response to pathogen attack and elicitation.


A phosphatidylinositol in which the inositol moiety is the 1D-myo isomer and the phosphatidyl group is located at its position 1.


An abietane diterpenoid that is miltiradiene in which the carbon at position 11 has been oxidised to the corresponding oxo group.


A plasmalogen of unkown fatty acid composition and where the glycerolipid is not defined, R3 can be H or a phospholipid.


A diacylglycerolipid where the fatty acyl at sn-1 has a saturated bond between carbons 1 and 2, the glycerolipid part is unkown, R3 can be an H or a phospholipid.


jasmolactone

A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes.


guanosine

A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond.


A 6-(3-hexenyl)tetrahydro-2H-pyran-2-one in which the double bond adopts a trans-configuration.


A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a hex-3-en-1-yl group at position 6.


composition glycan

A partially-defined glycan in which the number and type of monosaccharides (hexose, pentose, etc.) and in which partial or complete stereochemistry of the monosaccharides is known, but the connectivity and configuration of the anomeric linkages are not known. See http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000014.


topology glycan

A partially-defined glycan in which the identities of the monosaccharides that make up the glycan are known, but in which no linkage position or anomeric configuration is known. See http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000015.


An amino oligosaccharide that is an undecasaccharide derivative consisting of a linear hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two further N-acetyl-beta-D-glucosamine residues linked sequentially (1->4), (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is also linked (1->6) a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl branched pentasaccharide unit.


2,3-dimethylsuccinic acid

An alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 3 respectively.


inulobiose

A glycosyl glycoside comprising D-fructose attached to a D-fructofuranosyl residue via a beta-(2->1)-linkage.


The (R)-enantiomer of 2,3-dimethylpentane.


The (S)-enantiomer of 2,3-dimethylpentane.


A branched amino oligosaccharide comprising a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which is (1->4)-linked an N-acetyl-beta-D-glucosaminyl residue, together with an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide unit linked (1->6) and an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-alpha-D-mannosyl unit linked (1->3).


quiannulatene

A sesterterpene that is produced by the heterologous expression of sesterterpene synthase EvQS from Aspergillus stellatus.


The 5-phosphonooxy derivative of L-lysine having erythro-stereochemistry.


A 3-penten-1-yne in which the double bond adopts a trans-configuration.


A 3-penten-1-yne in which the double bond adopts a cis-configuration.


pentayne

Any acetylenic compound containing five carbon-carbon triple bonds.


An octene that is octane containing one double bond at position 3.


A 2-enoyl-CoA in which the double bond between positions 2 and 3 of the S-acyl group has cis- geometry; major microspecies at pH 7.3


An octene that is octane containing one double bond at position 2.


pantetheine

An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine.


A 5-oxo-2-furylacetic acid having a 3-methyl substituent.


A hydroxy fatty acid anion that is the conjugate base of 8-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 10-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 9-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 9-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 10-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 12-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 11-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


OPHIOBOLIN C

A sesterterpenoid that is ophiobolane with a hydroxy group at position 3, oxo group at positions 5, formyl group at position 7, and double bonds at positions 7-8 and 19-20.


soppiline B

A member of the class of resorcinols that is 5-heptadecylbenzene-1,3-diol which carries cis double bonds at positions 2 and 6, trans double bonds at positions 4 and 15, and a methyl group at position 15.


chenodeoxycholic acid

A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.


dodecene

An alkene that is dodecane containing one double bond at unspecified position.


soppiline C(1-)

A hydroxy monocarboxylic acid anion that is the conjugate base of soppiline C, arising from the deprotonation of the carboxy group. Major species at pH 7.3.


A dodecene that is dodecane with a double bond at position 3.


cannabichromenate

A hydroxy monocarboxylic acid anion that is the conjugate base of cannabichromenic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.


A dodecene that is dodecane with a double bond at position 2.


A 2-dodecene that is dodecane which has been dehydrogenated to introduce a cis double bond between positions 2 and 3.


cannabichromenic acid

A chromenol that is 2H-chromene substituted by methyl, 2-methylpent-2-en-5-yl, hydroxy, carboxy and pentyl groups at positions 2,2,5,6 and 7, respectively.


soppiline A(1-)

A hydroxy monocarboxylic acid anion that is the conjugate base of soppiline A, arising from the deprotonation of the carboxy group. Major species at pH 7.3.


glycan

Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001.


A branched amino oligosaccharide that is an octadecasaccharide comprising a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which are linked an N-acetyl-beta-D-glucosaminyl residue [via a (1->4) linkage], an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl branched heptasaccharide unit [linked (1->6)], and an an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-alpha-D-mannosyl branched heptasaccharide unit [linked (1->3)].


NEOSAXITOXIN

A pyrrolopurine that is saxitoxin carrying a hydroxy substituent on the nitrogen atom at position 5. It is a sodium channel blocker that is undergoing clinical trials as a prolonged-duration local anesthetic.


soppiline A

A hydroxy monocarboxylic acid that is icosanoic acid carrying a hydroxy group at position 3R, methyl group at position 18, cis double bonds at positions 5 and 9, and trans double bonds at positions 7 and 18.


soppiline C

A member of the class of resorcinols that is 16-(3,5-dihydroxyphenyl)hexadecanoic acid which carries cis double bonds at positions 10 and 14, a trans double bond at position 12, and an ethylidene group at position 2.


paralytic shellfish toxin

An alkaloid compound that is 2,6-diamino-4-methyl-pyrollo[1,2-c]-purin-10-diol produced by several cyanobacteria and dinoflagellates, which can result in paralytic shellfish poisoning when ingested.


A branched amino oligosaccharide that is a hexadecasaccharide derivative comprising a linear tetrasaccharide of beta-D-mannose and three N-acetyl-beta-D-glucosamine residues all linked in sequence (1->4), to the N-acetyl-beta-D-glucosamine residues at the reduciong end and the one proximal to it are each linked (1->6) L-fucosyl residues, while to the beta-D-mannose residue of which are linked two N-acetyl-beta-D-glucosaminyl-(1->2)-[alpha-L-fucosyl-(1->3)]-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)]-alpha-D-mannosyl branched pentasaccharide units via (1->3) and (1->6) linkages.


maremycin G

An indole alkaloid with formula C22H21N3O3S. It is a natural product synthesized by an NRPS/PKS system in Streptomyces sp. B917 and exhibits antifungal properties.


8-hydroxylauric acid

A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 8.


9-hydroxylauric acid

A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 9.


A branched amino nonasaccharide consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues, all linked (1->4), to the N-acetyl-beta-D-glucosamine at the reducing of which is also linked (1->6) an L-fucose residue, while the mannose residue carries N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl and N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl units via (1->6) and (1->3) glycosidic linkages respectively.


10-hydroxylauric acid

A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 10.


9-hydroxymyristic acid

A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 9.


semaglutide

A polypeptide that contains a linear sequence of 31 amino acids joined together by peptide linkages. It is an agonist of glucagon-like peptide-1 receptors (GLP-1 AR) and used for the treatment of type 2 diabetes.


kinanthraquinone

A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enamidyl, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593, and shows moderate cytotoxicity against HL-60 and NRK cells.


kinanthraquinone B

A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enoic acid, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593.


A quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine.


delgocitinib

A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan.


The cis-isomer of 1,4-dimethylcyclohexane.


The trans-isomer of 1,4-dimethylcyclohexane.


A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups.


A melanin pigment produced by certain fungi. It plays important roles in UV protection, oxidative stress and pathogenesis. In Aspergillus fumigatus, it is used as a virulence factor and plays an important role in the survival of the fungus during unfavorable conditions both in vivo and in vitro, and protects it from the host immune system. The pigment is generally synthesised from the pentaketide pathway in which 1,8-dihydroxynaphthalene is the immediate precursor which is polymerized to 1,8-dihydroxynaphthalene-melanin by a laccase enzyme.


ADP

A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.


A monocarboxylic acid anion that is the conjugate base of 3-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 2-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


name: 5'-end ribonucleoside 5'-diphosphate(3-) residue


name: 5'-end ribonucleotide 5'-triphosphate(4-) residue


11-hydroxymyristic acid

A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 11.


10-hydroxymyristic acid

A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 10.


12-hydroxymyristic acid

A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 12.


name: 5'-end (N(2),N(2),N(7)-trimethyl 5'-triphosphoguanosine)- ribonucleoside(2-) residue


bisulepine

The (Z)-isomer of dithiadene.


dithiadene

An organic heterotricyclic compound that is 4,9-dihydrothieno[2,3-c][2]benzothiepine substituted by a 3-(dimethylamino)propylidene group at position 4.


2-hydroxyethyl octadecanoate

An octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and one of the hydroxy groups of ethylene glycol. It is an ingredient in many personal care products and cosmetics.


(glutathione)4[2Fe(III)-2S] cluster

A glutathione-coordinated [2Fe-2S] cluster; major species at pH 7.3.


O-methyl-L-threonine residue

An L-alpha-amino acid residue that is L-threonine residue in which the hydroxy group of the side chain is replaced by a methoxy group. It is a post-translational modification that occurs in thiocillin antibiotics.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxobutanoic acid, obtained by deprotonation of the carboxy group.


JTE-607 free base

A secondary carboxamide resulting from the formal condensation of the carboxy group of 3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid with the amino group of ethyl L-phenylalaninate. It inhibits cytokine production in human peripheral blood mononuclear cells (PBMC's) without causing immunosuppression.


JTE-607 zwitterion

A zwitterion formed from JTE-607 by transfer of a proton from the hydroxy to the methylated amino group. Major species at pH 7.3.


An organic cation obtained by protonation of the two tertiary amino groups of JTE-607 free base.


A linear amino tetrasaccharide consisting of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-glucosyl and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->6), (1->4) and (1->6).


barasertib

A dihydrogen phosphate prodrug of a pyrazoloquinazoline aurora kinase inhibitor AZD1152-hydroxyquinazoline pyrazol anilide(HQPA) and is converted rapidly to the active AZD1152-HQPA in plasma.


mycofactocin

A small molecule derived from a peptide of the type known as RiPP (ribosomally synthesized and post-translationally modified peptides), naturally occurring in many types of Mycobacterium.


labetalol

A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.


(S,S)-labetalol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2S-configuration.


2'-deoxy-5-methyl-5'-cytidylic acid

A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5-methylcytidine as the nucleobase.


(R,S)-labetolol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2S-configuration.


(S,R)-labetolol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2R-configuration.


An inorganic heteromonocyclic compound that is 1,3,5-triazine in which the carbon atoms have been replaced by phosphorus atoms. It was one of a series of compounds which was being developed for use as a fire-resistant hydraulic fluid.


2-methylvaleric acid

A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.


N-methyl-L-dopa

The L-enantiomer of N-methyldopa.


N-methyl-D-dopa

The D-enantiomer of N-methyldopa.


N-methyldopa

A tyrosine derivative that is dopa in which one of the hydrogens of the amino group is replaced by a methyl group.


1-deoxynojirimycin-1-sulfonic acid

A hydroxypiperidine that is duvoglustat carrying a sulfo group at position 6beta. It is an alpha-glucosidase inhibitor and an activator of the human glucose sensor SGLT3.


tryptamine

An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.


A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.


A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued).


A member of the class of pyrazines that is pyrazine substituted by (pyridin-3-yl)aminocarbonyl, amino, and 4-(4-methylpiperazine-1-sulfonyl)phenyl groups at positions 2, 3 and 6, respectively. It is a potent inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.9 and 4.9 nM, respectively) and increases bone mass (via Wnt activation) in rats.


A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.


A dicarboxylic acid that is that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 4S and a (4-carboxyphenyl)sulfanediyl group at 5R. It is a dual cysteinyl leukotriene receptor antagonist that acts at the CysLT1 and CysLT2 receptors (IC50 = 0.44 and 0.30 muM, respectively).


A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors.


brivanib alinate

A carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib. It is a prodrug of brivanib (BMS-540215), a potent oral dual inhibitor of VEGFR-2 and FGFR-1 (IC50 of 25 nM and 148 nM, respectively) and was in development for the treatment of hepatocellular and colon carcinomas.


A member of the class of aminopyrimidines that is pyrimidine substituted by {2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino, 2,4-dichlorophenyl, and 1H-imidazol-1-yl groups at positions 2, 4 and 5, respectively. It is a potent ATP-competitive inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.65 and 0.58 nM, respectively).


A 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity.


A member of the class of imidazopyridines that is imidazo[1,5-a]pyridine substituted by (2-fluoro-4-iodophenyl)amino and (2-hydroxyethoxy)aminoacyl groups at positions 5 and 6. It is a potent ATP non-competitive inhibitor of MEK1 (Ki = 0.13nM) and also has efficacy against both mutant BRAF and mutant KRAS. It is in clinical development for treatment of patients with locally advanced or metastatic solid tumors.


A 5-oxo-2-furylacetic acid having a 4-methyl substituent.


A member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity.


A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer.


A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties.


A tripeptide comprising of L-arginine, 3-methyl-L-valine and L-arginine joined in sequence by peptide linkages and in which the amino terminus is substituted by a [4-(carbamimidamidomethyl)phenyl]acetyl group and the carboxy terminus is substituted by a (4-carbamimidoylbenzyl)amino group. It is a highly potent inhibitor of furin endoprotease (Ki = 5.5 pM) that has anti-infectious activity.


A member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors.


A sulfonamide that consists of two moieties of 4-methyl-N-phenylbenzenesulfonamide connected to each other at position 2 by an aldimine linker. It is a ATP-competitive inhibitor of sphingosine kinase that targets both SK1 and SK2 (Ki values of 27 muM and 6.9 muM, respectively) and exhibits anti-cancer properties.


A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by an ethyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity.


A sulfonamide that is benzene substituted by (methylsulfonyl)amino, (1R)-2-amino-1-hydroxyethyl and fluoro groups at positions 1, 3 and 4, respectively. It is a selective agonist of alpha1A adrenoreceptor.


ROMe

A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor.


A member of the class of 1,3-thiazoles that is 1,3-thiazole substituted by (2E)-2-(2-carboxybenzylidene)hydrazinyl and 2-chlorophenyl groups at positions 2 and 4, respectively. It is a potent inhibitor of human dihydroorotate dehydrogenase (hDHODH) with IC50 of 32 nM. It exhibits antineoplastic activity and broad-spectrum antiviral activity against various RNA viruses including influenza A, Zika, Ebola, and SARS-CoV-2 viruses.


A dichloroaniline having the two chloro-substituents at the 3- and 4-positions.


A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties.


A 1,2,4-oxadiazole that is substituted by 3-(trifluoromethyl)-4-{[4-(trifluoromethyl)benzyl]oxy}phenyl and (2S)-1-carbamimidoylpyrrolidin-2-yl groups at positions 3 and 5, respectively. It is a potent inhibitor of sphingosine kinase 2 (SphK2) with Ki of 89 nM.


tovorafenib

A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.


A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively.


A branched amino heptasaccharide consisting of N-acetyl-alpha-D-galactosamine carrying two individual N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosyl tetrasaccharide units via (1->3) and (1->6) glycosidic linkages.


A primary ammonium ion that is the conjugate acid of garomefrine, obtained from the protonation of the primary amino group. Major microspecies at pH 7.3.


mycothiol

A pseudodisaccharide, 1D-myo-inosityl-alpha-D-glucopyranoside, in which the hydroxy group at the 2-position of the glucose moiety is replaced by an (N-acetyl-L-cysteinyl)amido group.


A branched amino hexasaccharide consisting of beta-D-mannosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-beta-D-glucosamine residues all linked sequentially (1->4), to the mannosyl residue of which are linked two alpha-D-mannosyl residues via (1->3) and (1->6) glycosidic linkages while the N-acetyl-beta-D-glucosamine at the reducing end carries also via a (1->6) linkage an alpha-L-fucosyl residue.


asnovolin J

A meroterpenoid with formula C26H38O5 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.


asnovolin I(1-)

A monocarboxylic acid anion that is the conjugate base of asnovolin I resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


asnovolin K

A meroterpenoid with formula C26H36O6 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.


brivanib

A secondary alcohol resulting from the hydrolysis of the carboxylic ester group of brivanib alaninate. It is a dual VEGFR-2/FGFR-1 kinase inhibitor whose alanine prodrug, brivanib alaninate is currently under development as an oral agent for the treatment of cancer.


A branched amino oligosaccharide comprising a linear trisaccharide of beta-D-mannose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-D-glucosamine residues all linked in sequence (1->4), to the mannosyl residue of which is (1->4)-linked an N-acetyl-beta-D-glucosaminyl residue, together with two N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl tetrasaccharide units linked (1->3) and (1->6).


An amino tetrasaccharide comprising alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-galactosamine residues linked sequentially (1->3), (1->3) and (1->6).


A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM).


The N(5)-[(S)-1-carboxyethyl] derivative of L-ornithine.


5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione


A branched amino tetrasaccharide consisting of a linear trisaccharide comprising beta-D-galactose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-L-galactosamine residues linked sequentially (1->3) and (1->6), to the N-acetyl-beta-D-glucosamine of which is also linked (1->4) an alpha-L-fucosyl residue.


acalabrutinib

A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.


An aminoalcohol that is benzene substituted by a 3-amino-3-(hydroxymethyl)-4-methoxybutyl group at position 1 and an octyl group at position 4.


adenosine 5'-phosphoramidate

The phosphoramadite analogue of AMP.


A linear amino tetrasaccharide comprising alpha-L-fucosyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and alpha-D-mannose residues linked sequentially (1->2), (1->4) and (1->2).


A linear amino trisaccharide comprised of N-acetyl-alpha-neuraminyl, N-acetyl-beta-D-galactosaminyl and N-acetyl-6-O-sulfo-beta-D-glucosamine residues linked sequentially (2->6) and (1->4).


melleolide F

A sesquiterpenoid resulting from the formal condensation of the carboxy group of o-orsellinic acid with the 2-hydroxy group of (2R,2aS,4aS,7aS,7bR)-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-2aH-cyclobuta[e]indene-2,2a-diol. It is a metabolite isolated from the fungus Armillaria mellea.


The trans-isomer of 2-chloro-4-carboxymethylenebut-2-en-1,4-olide.


3-aci-nitropropanoic acid

An aci-nitro compound resulting from the tautomerisation of the nitro group of 3-nitropropanoic acid.


TABERSONINE

A monoterpenoid indole alkaloid with cytotoxic activity.


A member of the class of furans that is furan substituted by propionyl and methyl groups at positions 2 and 5, respectively. It is a flavouring agent found in sesame seed oil and coffee.


APIGETRIN

A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.


A 2-hydroxyglutarate(2-) that has (2S)-configuration.


A myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions.


vestitone

A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'.


morpholinium

A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylpyruvic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


1-phospho-alpha-D-glucuronic acid

The 1-O-phospho derivative of alpha-D-glucuronic acid.


3-hydroxyphenylpyruvic acid

A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3-hydroxyphenyl group.


A 2-hydroxy fatty acid anion that is the conjugate base of 2,2-dihydroxy-3-methylbutanoic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


CMP-N-acyl-beta-neuraminic acid

A CMP-sugar in which the sugar component consists of any N-acyl-beta-neuraminic acid.


2,2-dihydroxy-3-methylbutanoic acid

A 2-hydroxy fatty acid that is  isovaleric acid  bearing two hydroxy substituents at position 2.


name: (1S)-primary fluorescent chlorophyll catabolite

description: Published in: Muhlecker W, Krautler, B, Moser D, Matile P and Hortensteiner S (2000) Breakdown of Chlorophyll: A Fluorescent Chlorophyll Catabolite from Sweet Pepper (Capsicum annuum). Helv. Chem. Acta. 83(1):278-286. There is a DOI but it includes characters I cannot enter


name: (1R)-primary fluorescent chlorophyll catabolite

description: Published in: Muhlecker W, Krautler, B, Moser D, Matile P and Hortensteiner S (2000) Breakdown of Chlorophyll: A Fluorescent Chlorophyll Catabolite from Sweet Pepper (Capsicum annuum). Helv. Chem. Acta. 83(1):278-286.


The conjugate base of N-all-trans-retinylidenephosphatidylethanolamine; major species at pH 7.3.


name: primary fluorescent dioxobilin-type chlorophyll catabolite(1-)


aetokthonotoxin

A bromoindole that is 2,3,5-tribromo-1H-indole which is substituted by a 5,7-dibromo-3-cyano-1H-indol-2-yl group at position 1. It is a biindole alkaloid isolated from the cyanobacterium Aetokthonos hydrillicola and causes vacuolar myelinopathy in bald eagles.


The conjugate base of N-11-cis-retinylidenephosphatidylethanolamine; major species at pH 7.3.


biindole alkaloid

An alkaloid containing a biindole skeleton.


name: O13(4)-desmethyl primary fluorescent dioxobilin-type chlorophyll catabolite(2-)


aldehydo-D-lyxose

A D-lyxose in open-chain aldehyde form.


A beta-D-glucosyl group obtained by removing the hydroxy group from the hemiacetal function of beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp.


SID 26681509

A carbohydrazide that is L-tryptophan in which the amino and carboxy groups are substituted by tert-butoxycarbonyl and 2-({[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}carbonyl)hydrazinyl groups, respectively. It is a potent and reversible inhibitor of human cathepsin L (IC50 = 56 nM).


A branched amino trisaccharide consisting of at the reducing end an N-acetyl-6-sulfo-beta-D-galactosamine residue to which are linked alpha-L-fucosyl and N-acetyl-beta-D-galactosaminyl residues via (1->3) and (1->4) glycosidic linkages respectively.


A branched amino trisaccharide consisting of at the reducing end an N-acetyl-beta-D-glucosamine residue to which are linked alpha-L-fucosyl and N-acetyl-3-O-sulfo-beta-D-galactosaminyl residues via (1->3) and (1->4) glycosidic linkages respectively.


A (3'->5')-dinucleotide composed from cytidine and guanosine units.


sch 210972(2-)

A hydroxy monocarboxylic acid anion that is the conjugate base of sch 210972 resulting from the deprotonation of the carboxy and hydroxy groups. Major microspecies at pH 7.3.


A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.


A branched amino pentasaccharide comprising a linear tetrasaccharide unit consisting of N-acetyl-alpha-D-galactosaminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and (at the reducing end) N-acetyl-alpha-D-galactosamine residues linked in sequence (1->3), (1->3) and (1->6), to the beta-galactosyl residue is linked also (1->2) an alpha-L-fucosyl residue.


A tertiary ammonium ion obtained by protonation of the tertiary amino group of PJ34. It is the major species at pH 7.3.


mefuparib

A member of the class of 1-benzofurans that is 1-benzofuran substituted by 4-[(methylamino)methyl]phenyl, fluoro and aminocarbonyl groups at positions 2, 5, and 7, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 3.2 nM and 1.9 nM, respectively). The compound exhibits anti-cancer properties and has also shown promising antiviral activity against the virus that causes COVID-19.


A secondary ammonium ion resulting from the protonation of the secondary amino group of mefuparib. The major species at pH 7.3.


A cardiolipin where one of the acyl chains is the oxidized fatty acyl chain  9-hydroxy-(10E,12Z)-octadecadienoyl and the other 3 are not defined.


asnovolin I

A meroterpenoid with formula C25H34O6 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.


sch 210971(2-)

Based on the structure elucidated in pmid:26360642 for sch 210972 as it is synthesized from the same precursor as described in pmid:25885659


A L-phenylalanine derivative carrying a hydroxy substituent at position 3.


melatonin

A member of the class of  acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans.


A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent.


name: Linalool oxide D 3-[apiosyl-(1->6)-glucoside]


16alpha-hydroxy steroid

A 16-hydroxy steroid in which the hydroxy group at position 16 has alpha-configuration.


Cellulose, microcrystalline

A (1->4)-beta-D-glucan (cellulose) in crystalline form with a structure consisting of several hundred to over ten thousand D-glucose residues joined by beta(1->4) glycosidic linkages.


(-)-dihydrocarvone

A dihydrocarvone in (S,S) configuration.


N-acetylanthranilate

An amidobenzoate consisting of anthranilate carrying an N-acetyl group.


A keto-D-gluconate that is the conjugate base of 2-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group.


D-glucose 6-sulfate

A monosaccharide sulfate consisting of D-glucose having the sulfate group at the 6-position.


An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid.


RACEMETHIONINE

A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.


The (S,S) diastereoisomer of butane-2,3-diol.


name: Brassica napus non-fluorescent chlorophyll catabolite 3


GALACTITOL

An optically inactive hexitol having meso-configuration.


name: 8-Hydroxyluteolin 4'-methyl ether 7-(6'''-acetylallosyl)(1->2)(6''-acetylglucoside)


dehydroepiandrosterone sulphate

A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone.


flavonol 3-O-beta-D-glucoside

Any glycosyloxyflavone that consists of a flavonol attached to a beta-D-glucosyl residue at position 3 via a glycosidic linkage.


name: 1alpha,25-dihydroxy-24a-homo-22-thiavitamin D3 / 1alpha,25-dihydroxy-24a-homo-22-thiacholecalciferol


N-benzoyl-D-arginine

A member of the class of N-benzoyl-D-arginines that is D-arginine in which one of the hydrogens of attached to the alpha-amino group has been replaced by a benzoyl group.


The L-enantiomer of  4-oxoproline.


name: 6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside


choline sulfate

An ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group.


name: Luteolin 7,3'-dimethyl ether 5-glucoside


A member of the class of indenes that is 2,4,5,7a-tetrahydro-1H-indene substituted by methyl groups at positions 1, 4, 4 and 7a and by an oxo group at position 2.


acyl monophosphate

An organic phosphate ester or anhydride formed by condensation of phosphoric acid with a carboxylic acid.


corticosterone

A 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands.


L-tryptophan

The L-enantiomer of tryptophan.


METHYLAMINE

The simplest of the methylamines, consisting of ammonia bearing a single methyl substituent.


meglutol

A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura.


kievitone

A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8.


name: 11,13-Dihydrotaraxinic acid glucosyl ester


P-NITROPHENOL

A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.


polyphosphate

The phosphorus oxoanion formed from polyphosphoric acid by proton loss from each of the phosphate units. The major species at pH 7.3.


name: (24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24R)-1alpha,24,25,26-tetrahydroxyergocalciferol


mycophenolic acid

A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.


name: 6-Hydroxytricetin 6,4',5'-trimethyl eter 3'-rhamnoside


name: Luteolin 7,3'-dimethyl ether 5-rhamnoside


formalin

An aldehyde resulting from the formal oxidation of methanol.


name: chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a


name: 6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside


URACIL DIPHOSPHATE GALACTOSAMINE

A UDP-amino sugar having alpha-D-galactosamine as the amino-sugar component.


coenzyme gamma-F420-2

The amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid.


name: 26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol


A naphthofuran obtained by selective hydrogenation of the 1,2-position of alpha-santonin.


L-dopaquinone

An L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group.


D-lysine

The D-enantiomer of the alpha-amino acid lysine.


glutathione

A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.


L-threonine

An optically active form of threonine having L-configuration.


oxaloacetic acid 4-methyl ester

A dicarboxylic acid monoester comprising succinic acid having an oxo group at the 2-position and the methyl ester at the 4-position.


name: Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)


A monounsaturated fatty aldehyde that is heptadecanal carrying a double bond at position 8.


A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid.


D-ribofuranosyl-ADP

An ADP-aldose having ribose as the aldose fragment.


GABA

A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.


ATHRAQUINONES A

A dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2.


butyl butyryllactate

A diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol.


D-methionine

An optically active form of methionine having D-configuration.


name: 1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin D3 / 1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)cholecalciferol