An acetamide that is acetaminophen (paracetamol) substituted on the phenolic oxygen and the amido nitrogen with trimethylsilyl groups


mogroside

A triterpenoid saponin in which the triterpenoid fragment can be any cucurbitane derivative.


nerylneryl diphosphate

A polyprenol diphosphate having (Z,Z,Z)-geranylgeraniyl (nerylneryl) as the polyprenyl component.


norbaeocystin

A tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4.


(+)-O-methylkolavelool

A diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group.


A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine.


piperacilloyl-L-lysine residue

The L-alpha-amino-acid residue derived from piperacilloyl-L-lysine.


flucloxacilloyl-L-lysine residue

The L-alpha-amino-acid residue derived from flucloxacilloyl-L-lysine.


amoxicillin-L-lysine residue

The L-alpha-amino-acid residue derived from amoxicillin-L-lysine.


benzylpenicilloyl-L-lysine residue

The L-alpha-amino-acid residue derived from benzylpenicilloyl-L-lysine.


aztreonyl-L-lysine residue

The L-alpha-amino-acid residue derived from aztreonyl-L-lysine.


An N(4)-glycosylated L-asparagine residue derived from N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn.


beta-pinacene

A diterpene that is cyclotetradeca-1,3,7,11-tetraene which is substituted by methyl groups at positions 1, 7, and 11, and by an isopropyl group at position 4 (the 1Z,3E,7E,11E isomer). It is a constituent of the essential oils from Pinus koraiensis and Pinus sibirica.


An N(4)-glycosylated L-asparagine residue derived from N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn.


An N(4)-glycosylated L-asparagine residue derived from N(4)-(alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn.


An N(4)-glycosylated L-asparagine residue derived from N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn.


3,5-dibromo-4-hydroxybenzoic acid

A monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring.


An N(4)-glycosylated L-asparagine residue derived from N(4)-(alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-Asn.


A bisammonium salt of a titanium coordination entity in which the titanium central atom is coordinated to two 2-methyl-3-oxobutane-1,4-diyl bidentate ligands and two hydroxy groups.


An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn


baeocystin

A tryptamine alkaloid that is N-methyltryptamine carrying an additional phosphoryloxy substituent at position 4.


An L-glutamine derivative in which one of the side-chain amide hydrogens of L-glutamine has been replaced by a phospho group.


An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn.


Any glycoside derived from beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosamine


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide


An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn.


name: reduced coenzyme F420-(gamma-Glu)n polyanion

description: A polyanionic polymer obtained by global deprotonation of the carboxy and phosphate groups of reduced coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3


An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn.


nonaflavuxanthin

A C45 carotenoid that is an intermediate in the biosyntheses of decaprenoxanthin by Corynebacterium glutamicum and gamma-cyclic sarcinaxanthin by Micrococcus luteus.


flavuxanthin

A C50 carotenoid that is an intermediate in the biosyntheses of decaprenoxanthin by Corynebacterium glutamicum and gamma-cyclic sarcinaxanthin by Micrococcus luteus.


A glucan derivative that consists of a (1->4)-beta-D-glucan moiety attached at position 1 of any ceramide via a glycosidic linkage.


An organic anionic group obtained by deprotonation of the phosphate OH groups of (5R)-5,6-dihydro-5-(thymidin-7-yl)thymidine dimer residue; major microspecies at pH 7.3


thymidine dimer(2-) residue

An organic anionic group obtained by deprotonation of the phosphate OH groups of thymidine dimer residue; major microspecies at pH 7.3


phenolic donor

Any phenol that acts as an electron donor.


phenolic radical donor

Any phenoxy radical that acts as an electron donor.


An inositol phosphoceramide obtained by formal condensation of the carboxy group of 2-hydroxyhexacosanoic acid with the amino group of phytosphingosine-1-phospho-(1D-myo-inositol).


MP-PYT

A member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a p-tolyl group while the carbon at position 5 is substituted by a (2E)-3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity.


DMP-PYT

A member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a 3,5-dimethylphenyl group while the carbon at position 5 is substituted by a (2E)-(3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity.


An inositol phosphophytoceramide obtained by formal condensation of the carboxy group of any fatty acid with the amino group of inositol-1-phospho-(8E)-phytosphing-8-enine


An inositol phosphomannosylinositol phosphophytoceramide in which the phytoceramide fragment contains 18 carbons.


An inositol phosphomannosylinositol phosphophytoceramide in which the phytoceramide fragment contains 20 carbons.


An inositol phosphomannosylinositol phosphophytoceramide in which the ceramide fragment is specified as N-acylsphinganine.


An inositol phosphomannosylinositol phosphophytoceramide in which the ceramide fragment is specified as N-acyl-C20-sphinganine.


phosphomycoketide C32

A C32 phosphomycoketide in which all five stereocentres have S-configuration.


((13)C)carbon dioxide

A (13)C-modified compound that is carbon dioxide in which the carbon is present as its (13)C isotope.


A 2,2'-lysobisphosphatidic acid in which both acyl groups are specified as oleoyl.


A member of the class of glycerophosphoglycerols obtained by formal condensation  of the carboxy group of oleic acid with one of the primary hydroxy groups of (S,S)-glycero-1-phospho-1'-glycerol


A 1,1'-lysobisphosphatidic acid in which both acyl groups are specified as oleoyl.


(14)C-modified compound

An isotopically modified compound in which the abundance of a (14)C isotope at one or more positions has been increased above that of the naturally occurring level (1 - 1.5 atoms for every 10(12) atoms of the carbon in the atmosphere). With a half-life of 5,700 years, (14)C is the longest-lived radioisotope of carbon.


A member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the secondary hydroxy groups of (S,S)-glycero-1-phospho-1'-glycerol


(11)C-modified compound

An isotopically modified compound which contains one or more (11)C atoms. (11)C is the most stable artificial isotope of carbon, decaying by positron emission to (11)B with a half-life of 20.334 minutes.


maradolipid

A polyacyl alpha,alpha-trehalose in which the two hydroxy hydrogens at positions 6 and 6' of alpha,alpha-trehalose have been replaced by fatty acyl groups. A 6,6'-diacyltrehalose lipid found in C. elegans dauer larvae.


bacteriochlorophyllide f

A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of any bacteriochlorophyll f.


name: superparamagnetic iron oxide nanoparticle

description: An iron oxide nanoparticle consisting of a magnetic iron oxide core (usually magnetite, Fe3O4, or maghemite, gamma-Fe2O3). They may be coated with a biocompatible polymer or precipitated within the pores of a porous biocompatible polymer, which can be attached to cytotoxic drugs or antibodies. These can be targeted to the required area using external magnets; after the external magnetic field is removed, the particles no longer show magnetic interaction.


maghemite

An iron oxide mineral with formula Fe2O3 formed by weathering of spinels containing iron(II) such as magnetite or titanomagnetite, or through dehydration and transformation of some iron oxyhydroxide minerals. A brown or yellow pigment found in various sediments and soils.


A member of the class of glycerophosphoglycerols that is sn-glycero-3-phospho-(1'-sn-glycerol) in which the hydroxy hydrogens at positions 1, 2 and 3' have been replaced by oleoyl groups.


maghemite nanoparticle

A superparamagnetic iron oxide nanoparticle consisting of maghemite, Fe2O3.


7(1)-hydroxybacteriochlorophyllide d

A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of any 7(1)-hydroxybacteriochlorophyll d.


magnetic nanoparticle

Any nanoparticle that can be manipulated using magnetic fields. Magnetic nanoparticle normally have an iron, nickel or cobalt core.


A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of any 7(1),7(1)-dihydroxybacteriochlorophyll d.


name: EC 4.1.1.17 (ornithine decarboxylase) inhibitor

description: An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of ornithine decarboxylase (EC 4.1.1.17).


antalarmin

A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidin-4-amine which is substituted by methyl groups at positions 2, 5, and 6, by a mesityl group at position 7, and in which the amino substituent at position 4 has been substituted by ethyl and butyl groups. It is an antagonist of corticotropin-releasing factor 1 (CRF-1) receptors (Ki = 1 nM).


A retinoid that is 5,6-epoxyretinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue.


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA; major species at pH 7.3.


ceramide 1-phosphate

A phosphosphingolipid consisting of any ceramide phosphorylated at position 1


A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9Z)-12-hydroxyoctadec-9-enoyl.


name: archaeal dolichyl alpha-D-glucosyl phosphate(1-)

description: An organophosphate oxoanion that is the conjugate base of archaeal dolichyl alpha-D-glucosyl phosphate arising from deprotonation of the phosphate OH group; major species at pH 7.3. Dolichol used by archaea is is generally much shorter (C55-C60) than that used by eukaryotes and may have additional saturation positions in the chain.


name: archaeal dolichyl beta-D-glucuronosyl-(1->4)-alpha-D-glucosyl phosphate(2-)

description: An organophosphate oxoanion arising from deprotonation of the carboxy and phosphate groups of archaeal dolichyl beta-D-glucuronosyl-(1->4)-alpha-D-glucosyl phosphate; major species at pH 7.3. Dolichol used by archaea is is generally much shorter (C55-C60) than that used by eukaryotes and may have additional saturation positions in the chain.


A polyunsaturated fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 3 double bonds at unknown positions. Major species at pH 7.3.


A methyl glycoside that consists of methyl beta-D-galactoside having an alpha-L-rhamnosyl residue at the 2-position. A core disaccharide from the Streptococcus pneumoniae type 23F capsular polysaccharide antigen.


A polyunsaturated fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 2 double bonds at unknown positions. Major species at pH 7.3.


A long-chain fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 1 double bond. Major species at pH 7.3.


A methyl glycoside that consists of methyl 3-(2-glycerylphospho)-beta-D-galactoside having an alpha-L-rhamnosyl residue at the 2-position. The core disaccharide from the Streptococcus pneumoniae type 23F capsular polysaccharide antigen functionalized with a phosphoglycerol side chain.


An organophosphate oxoanion obtained by deprotonation of the phosphate and 3-imido groups of 8-amino-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organophosphate oxoanion obtained by deprotonation of the phosphate and 3-imido groups of 8-formyl-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organophosphate oxoanion obtained by deprotonation of the phosphate, carboxy and 3-imido groups of 8-formyl-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A long-chain fatty acyl-CoA in which the S-acyl moiety contains 16 carbons and 1 double bond. Major species at pH 7.3.


A ceramide obtained by formal condensation of the carboxy group of any fatty acid with the amino group of (4E,14Z)-sphingadienine.


octadecenoyl-CoA

Any unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 1 double bond.


monounsaturated fatty acyl-CoA

Any unsaturated fatty acyl-CoA in which the fatty acyl chain contains one carbon-carbon double bond.


octadecatrienoyl-CoA

An unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 3 double bonds at unknown positions.


octadecadienoyl-CoA

An unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 2 double bonds at unknown positions.


AMPK activator PT 1

A member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the alpha-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK).


An L-alpha-amino acid residue derived from O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-threonine. Mucin core 4 structure attached to L-threonine residue.


An L-alpha-amino acid residue derived from O(3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl]-L-serine. Mucin core 4 structure attached to L-serine residue.


A lysobisphosphatidic acid with (R,R)-configuration in which both acyl groups are specified as oleoyl and are located at the 2 and 2'-positions.


A member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the secondary hydroxy groups of (R,R)-glycero-1-phospho-1'-glycerol


A monosaccharide derivative that is the 2-O-methyl derivative of alpha-L-rhamnose.


2-O-methyl-alpha-L-rhamnosyl group

A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of 2-O-methyl-alpha-L-rhamnose


alpha-hydroxy ketone

An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.


retinoid anion

A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group.


primary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group.


tertiary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.


A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' and 4', methoxy group at positions 4 and 6' and a prenyl group at position 3'.


A glycoside consisting of an alpha-L-rhamnosyl residue glycosidically linked to an 8-hydrazinocarbonyloctyl group and which carries at O-2 a methyl substituent.


An organic group formed by loss of the terminal amino group from 8-hydrazinocarbonyloctyl 2-O-methyl-alpha-L-rhamnoside; the monosaccharide moiety within the Mycobactrium bovis-specific neoantigen 2-MeRha-O-BSA (BSA = Bovine Serum Albumin).


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-alpha-D-galactosaminide; major species at pH 7.3.


An alpha-amino-acid residue anion obtained by deprotonation of the carboxy group of O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-serine residue; major species at pH 7.3.


An alpha-amino-acid residue anion obtained by deprotonation of the carboxy group of O(3)-[N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl]-L-threonine residue; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups specified at positions 1 and 2 are palmitoyl (hexadecanoyl) and (9E,13E)-octadeca-9,13-dienoyl respectively.


calcitriol 25-O-(beta-D-glucuronide)

A steroid glucosiduronic acid that is calcitriol in which the hydroxy hydrogen at position 25 has been replaced by a beta-D-glucuronyl residue.


A naphthoimidazole that is 1H-naphtho[2,3-d]imidazole-4,9-dione which is substituted at positions 1 by pyrazin-2-ylmethyl and methyl groups, respectively.


Any glycoside derived from beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosamine.


An L-alpha-amino acid residue derived from O(3)-{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine


An L-alpha-amino acid residue derived from O(3)-{beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine


calcidiol 25-O-(beta-D-glucuronide)

A steroid glucosiduronic acid that is calcidiol in which the hydroxy hydrogen at position 25 has been replaced by a beta-D-glucuronyl residue.


An L-alpha-amino acid residue derived from O(3)-{beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc}-L-serine


An L-alpha-amino acid residue derived from O(3)-{N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine.


calcidiol 3-O-(beta-D-glucuronide)

A steroid glucosiduronic acid that is calcidiol in which the hydroxy hydrogen at position 3 has been replaced by a beta-D-glucuronyl residue.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of ascr#1. The conjugate base of ascr#1 and the major species at pH 7.3.


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


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#10.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#10-CoA; major species at pH 7.3.


Conjugate base of ascr#11


CoA ester of ascr#11


Conjugate base of ascr#11-CoA


A monocarboxylic acid anion that is conjugate base of ascr#12 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


CoA ester of ascr#12


Conjugate base of ascr#12-CoA


Conjugate base of ascr#13


CoA ester of ascr#13


Conjugate base of ascr#13-CoA


A monocarboxylic acid anion that is conjugate base of ascr#14 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


CoA ester of ascr#14


Conjugate base of ascr#14-CoA


Conjugate base of ascr#15


CoA ester of ascr#15


Conjugate base of ascr#15-CoA


A monocarboxylic acid anion that is conjugate base of ascr#16 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


CoA ester of ascr#16


Conjugate base of ascr#16-CoA


Conjugate base of ascr#17


CoA ester of ascr#17


Conjugate base of ascr#17-CoA


Conjugate base of ascr#18


CoA ester of ascr#18


Conjugate base of ascr#18-CoA


Conjugate base of ascr#19


CoA ester of ascr#19


Conjugate base of ascr#19-CoA


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#1.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#1-CoA; major species at pH 7.3.


Conjugate base of ascr#20


CoA ester of ascr#20


Conjugate base of ascr#20-CoA


Conjugate base of ascr#21


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#21.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of ascr#21-CoA; major species at pH 7.3.


Conjugate base of ascr#22


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#22.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#22-CoA; major species at pH 7.3.


Conjugate base of ascr#23


CoA ester of ascr#23


Conjugate base of ascr#23-CoA


Conjugate base of ascr#24


CoA ester of ascr#24


Conjugate base of ascr#24-CoA


Conjugate base of ascr#25


CoA ester of ascr#25


Conjugate base of ascr#25-CoA


Conjugate base of ascr#26


CoA ester of ascr#26


Conjugate base of ascr#26-CoA


Conjugate base of ascr#27


CoA ester of ascr#27


Conjugate base of ascr#27-CoA


Conjugate base of ascr#28


CoA ester of ascr#28


Conjugate base of ascr#28-CoA


Conjugate base of ascr#29


CoA ester of ascr#29


Conjugate base of ascr#29-CoA


Conjugate base of ascr#3


Conjugate base of ascr#30


CoA ester of ascr#30


Conjugate base of ascr#30-CoA


Conjugate base of ascr#31


CoA ester of ascr#31


Conjugate base of ascr#31-CoA


Conjugate base of ascr#32


CoA ester of ascr#32


Conjugate base of ascr#32-CoA


Conjugate base of ascr#33


CoA ester of ascr#33


Conjugate base of ascr#33-CoA


Conjugate base of ascr#34


CoA ester of ascr#34


Conjugate base of ascr#34-CoA


Conjugate base of ascr#35


CoA ester of ascr#35


Conjugate base of ascr#35-CoA


Conjugate base of ascr#36


CoA ester of ascr#36


Conjugate base of ascr#36-CoA


Conjugate base of ascr#37


CoA ester of ascr#37


Conjugate base of ascr#37-CoA


Conjugate base of ascr#38


CoA ester of ascr#38


Conjugate base of ascr#38-CoA


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#3-CoA; major species at pH 7.3.


Conjugate base of ascr#5


CoA ester of ascr#5


Conjugate base of ascr#5-CoA


Conjugate base of ascr#7


An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of ascr#7.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#7-CoA; major species at pH 7.3.


Conjugate base of ascr#8


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


CoA ester of ascr#9


Conjugate base of ascr#9-CoA


Conjugate base of bhas#10


CoA ester of bhas#10


Conjugate base of bhas#10-CoA


Conjugate base of bhas#12


CoA ester of bhas#12


Conjugate base of bhas#12-CoA


Conjugate base of bhas#14


CoA ester of bhas#14


Conjugate base of bhas#14-CoA


Conjugate base of bhas#16


CoA ester of bhas#16


Conjugate base of bhas#16-CoA


Conjugate base of bhas#18


CoA ester of bhas#18


Conjugate base of bhas#18-CoA


CoA ester of bhas#1


Conjugate base of bhas#1-CoA


Conjugate base of bhas#20


CoA ester of bhas#20


Conjugate base of bhas#20-CoA


Conjugate base of bhas#22


CoA ester of bhas#22


Conjugate base of bhas#22-CoA


Conjugate base of bhas#24


CoA ester of bhas#24


Conjugate base of bhas#24-CoA


Conjugate base of bhas#26


CoA ester of bhas#26


Conjugate base of bhas#26-CoA


Conjugate base of bhas#28


CoA ester of bhas#28


Conjugate base of bhas#28-CoA


Conjugate base of bhas#30


CoA ester of bhas#30


Conjugate base of bhas#30-CoA


Conjugate base of bhas#32


CoA ester of bhas#32


Conjugate base of bhas#32-CoA


Conjugate base of bhas#34


CoA ester of bhas#34


Conjugate base of bhas#34-CoA


Conjugate base of bhas#36


CoA ester of bhas#36


Conjugate base of bhas#36-CoA


Conjugate base of bhas#38


CoA ester of bhas#38


Conjugate base of bhas#38-CoA


Conjugate base of bhas#9


CoA ester of bhas#9


Conjugate base of bhas#9-CoA


Conjugate base of bhos#1


Conjugate base of bhos#10


CoA ester of bhos#10


Conjugate base of bhos#10-CoA


Conjugate base of bhos#12


CoA ester of bhos#12


Conjugate base of bhos#12-CoA


Conjugate base of bhos#14


CoA ester of bhos#14


Conjugate base of bhos#14-CoA


Conjugate base of bhos#16


CoA ester of bhos#16


Conjugate base of bhos#16-CoA


Conjugate base of bhos#18


CoA ester of bhos#18


Conjugate base of bhos#18-CoA


CoA ester of bhos#1


Conjugate base of bhos#1-CoA


Conjugate base of bhos#20


CoA ester of bhos#20


Conjugate base of bhos#20-CoA


Conjugate base of bhos#22


CoA ester of bhos#22


Conjugate base of bhos#22-CoA


Conjugate base of bhos#24


CoA ester of bhos#24


Conjugate base of bhos#24-CoA


Conjugate base of bhos#26


CoA ester of bhos#26


Conjugate base of bhos#26-CoA


Conjugate base of bhos#28


CoA ester of bhos#28


Conjugate base of bhos#28-CoA


Conjugate base of bhos#30


CoA ester of bhos#30


Conjugate base of bhos#30-CoA


Conjugate base of bhos#32


CoA ester of bhos#32


Conjugate base of bhos#32-CoA


Conjugate base of bhos#34


CoA ester of bhos#34


Conjugate base of bhos#34-CoA


Conjugate base of bhos#36


CoA ester of bhos#36


Conjugate base of bhos#36-CoA


Conjugate base of bhos#38


CoA ester of bhos#38


Conjugate base of bhos#38-CoA


Conjugate base of bhos#9


CoA ester of bhos#9


Conjugate base of bhos#9-CoA


Conjugate base of bkas#1


Conjugate base of bkas#10


CoA ester of bkas#10


Conjugate base of bkas#10-CoA


Conjugate base of bkas#12


CoA ester of bkas#12


Conjugate base of bkas#12-CoA


Conjugate base of bkas#14


CoA ester of bkas#14


Conjugate base of bkas#14-CoA


Conjugate base of bkas#16


CoA ester of bkas#16


Conjugate base of bkas#16-CoA


Conjugate base of bkas#18


CoA ester of bkas#18


Conjugate base of bkas#18-CoA


CoA ester of bkas#1


Conjugate base of bkas#1-CoA


Conjugate base of bkas#20


CoA ester of bkas#20


Conjugate base of bkas#20-CoA


Conjugate base of bkas#22


CoA ester of bkas#22


Conjugate base of bkas#22-CoA


Conjugate base of bkas#24


CoA ester of bkas#24


Conjugate base of bkas#24-CoA


Conjugate base of bkas#26


CoA ester of bkas#26


Conjugate base of bkas#26-CoA


Conjugate base of bkas#28


CoA ester of bkas#28


Conjugate base of bkas#28-CoA


Conjugate base of bkas#30


CoA ester of bkas#30


Conjugate base of bkas#30-CoA


Conjugate base of bkas#32


CoA ester of bkas#32


Conjugate base of bkas#32-CoA


Conjugate base of bkas#34


CoA ester of bkas#34


Conjugate base of bkas#34-CoA


Conjugate base of bkas#36


CoA ester of bkas#36


Conjugate base of bkas#36-CoA


Conjugate base of bkas#38


CoA ester of bkas#38


Conjugate base of bkas#38-CoA


Conjugate base of bkas#9


CoA ester of bkas#9


Conjugate base of bkas#9-CoA


Conjugate base of bkos#1


Conjugate base of bkos#10


CoA ester of bkos#10


Conjugate base of bkos#10-CoA


Conjugate base of bkos#12


CoA ester of bkos#12


Conjugate base of bkos#12-CoA


Conjugate base of bkos#14


CoA ester of bkos#14


Conjugate base of bkos#14-CoA


Conjugate base of bkos#16


CoA ester of bkos#16


Conjugate base of bkos#16-CoA


Conjugate base of bkos#18


CoA ester of bkos#18


Conjugate base of bkos#18-CoA


CoA ester of bkos#1


Conjugate base of bkos#1-CoA


Conjugate base of bkos#20


CoA ester of bkos#20


Conjugate base of bkos#20-CoA


Conjugate base of bkos#22


CoA ester of bkos#22


Conjugate base of bkos#22-CoA


Conjugate base of bkos#24


CoA ester of bkos#24


Conjugate base of bkos#24-CoA


Conjugate base of bkos#26


CoA ester of bkos#26


Conjugate base of bkos#26-CoA


Conjugate base of bkos#28


CoA ester of bkos#28


Conjugate base of bkos#28-CoA


Conjugate base of bkos#30


CoA ester of bkos#30


Conjugate base of bkos#30-CoA


Conjugate base of bkos#32


CoA ester of bkos#32


Conjugate base of bkos#32-CoA


Conjugate base of bkos#34


CoA ester of bkos#34


Conjugate base of bkos#34-CoA


Conjugate base of bkos#36


CoA ester of bkos#36


Conjugate base of bkos#36-CoA


Conjugate base of bkos#38


CoA ester of bkos#38


Conjugate base of bkos#38-CoA


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxy-3-oxopentanoic acid with ascarylopyranose (the alpha anomer).


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


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of bkos#9.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of bkos#9-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#12.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#10-CoA; major species at pH 7.3.


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


A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#12-CoA; major species at pH 7.3.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-8-oct-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#13, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#13.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#13-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#14, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#14.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#14-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#15, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#15.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#15-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#16, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#16.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#16-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#17, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#17.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#17-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#18, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#18.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#18-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#19, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#19.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#19-CoA; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#1.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#1-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#20, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#20.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#20-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#21, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#21.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#21-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#22, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#22.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#22-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#23, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#23.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#23-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#24, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#24.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#24-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#25, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#25.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#25-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#26, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#26.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#26-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#27, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#27.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#27-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#28, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#28.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#28-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#29, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#29.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#29-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#3. The conjugate base of oscr#3 and the major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#30, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#30.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#30-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#31, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#31.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#31-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#32, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#32.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#32-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#33, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#33.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#33-CoA; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of oscr#34, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#34.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#34-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#35, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#35.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#35-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#36, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#36.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#36-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#37, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#37.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#37-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#38. The conjugate base of oscr#38 and the major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#38.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#38-CoA; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#3-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#7. The conjugate base of oscr#7 and the major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#7.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#7-CoA; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#9


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#9-CoA; major species at pH 7.3.


A dithiophosphatidylcholine that is sn-dithiophosphatidylcholine in which the acyl substituents at S-1 and S-2 are both heptanoyl.


A nitramine that is N,N-bis(2-hydroxypropyl)nitrosamine in which the nitroso group has undergone formal oxidation to the corresponding nitro group. A potent pancreatic carcinogen.


monothioglycerophosphocholine

A monothioglycerol phosphate ester of a phosphocholine.


dithioglycerophosphocholine

The dithioglycerol phosphate ester of a phosphocholine.


sn-monothiophosphatidylcholine

A monothioglycerophosphocholine that is an sn-1- or -2-monothioglycero-3-phosphocholine bearing one or two acyl substituents at positions 1 and/or 2.


dithiophosphatidylcholine

A dithioglycerophosphocholine that is 1,2-dithioglycero-3-phosphocholine bearing two acyl substituents at positions 1 and 2.


An sn-monothiophosphatidylcholine in which the acyl substituents at O-1 and S-2 are hexadecyl and arachidinoyl respectively.


An sn-monothiophosphatidylcholine in which the acyl substituents at O-1 and S-2 are hexadecyl and hetanoyl respectively; an analogue of diheptanoyl thio-PC that contains an ether-linked saturated C16 moiety at the sn-1 position rather than a heptanoyl thiol ester.


An sn-monothiophosphatidylcholine in which the acyl substituents at O-1 and S-2 are both palmitoyl (hexadecanoyl); a chromogenic  phospholipase A2 substrate that contains a palmitoyl thioester at the sn-2 position of the glycerol backbone.


5'-GAGACCC-3' RNA fragment

An RNA fragment comprised of two guanosine, two adenosine and three cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-G-A-C-C-C.


5'-GAGAGACCCAC-3' RNA fragment

An RNA fragment comprised of three guanosine, two adenosine and four cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-G-A-G-A-C-C-C-A-C.


5'-GUGACCC-3' RNA fragment

An RNA fragment comprised of two guanosine, one uridine, one adenosine and three cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-U-G-A-C-C-C.


Trp-Gly-Ile-His-His

A pentapeptide comprising L-tryptophan, glycine, L-isoleucine, and two L-histidine residues coupled in sequence by peptide linkages.


Trp-Tyr-Gly-Tyr-His-His

An oligopeptide comprising L-tryptophan, L-tyrosine, glycine, L-tyrosine, and two L-histidine residues coupled in sequence by peptide linkages.


A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 6 on the indole ring has been replaced by a chlorine.


eruberin A

An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2R,4S)-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-4,5,7-triol across the 1- and 2-positions of beta-D-glucopyranose. It is a natural product extracted from the fern plant, Pronephrium penangianum and exerts antiproliferative and antifibrotic activity.


An L-alpha-amino acid residue derived from O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-serine.


A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as octanoyl.


An L-alpha-amino acid residue derived from O(3)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl]-L-threonine.


all-trans-retinyl octanoate

An all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of all-trans-retinol.


An L-alpha-amino acid residue derived from O(3)-{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-serine.


A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogens at positions 6 and 7 on the indole ring have been replaced by chlorines.


An L-alpha-amino acid residue derived from O(3)-{N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl}-L-threonine.


A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as dodecanoyl.


all-trans-retinyl dodecanoate

An all-trans-retinyl ester obtained by formal condensation of the carboxy group of dodecanoic (lauric) acid with the hydroxy group of all-trans-retinol.


name: Okanin 4-methyl ether 4'-O-(6''-O-p-coumaroylglucoside)


heparin dodecasaccharide

Any heparin oligosaccharide consisting of 12 glycosidically linked monosaccharide residues.


heparin tetradecasaccharide

Any heparin oligosaccharide consisting of 14 glycosidically linked monosaccharide residues.


name: quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside


CEFDALOXIME

A cephalosporin compound having methoxymethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino side-groups; a third-generation cephalosporin antibiotic.


ceftiolene

A cephalosporin compound having (E)-2-{[5,6-dioxo-4-(2-oxoethyl)-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl]sulfanyl}ethenyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups; a third-generation cephalosporin antibiotic.


A flavin mononucleotide that is 8-amino-8-demethylriboflavin in which the hydroxy hydrogen at position 5' of the ribitol fragment has been replaced by a phosphono group.


heparin hexadecasaccharide

Any heparin oligosaccharide consisting of 16 glycosidically linked monosaccharide residues.


heparin icosasaccharide

Any heparin oligosaccharide consisting of 20 glycosidically linked monosaccharide residues.


cyclosporin A metabolite M1

A cyclosporin A derivative that is cyclosporin A in which residue 9 (N-methylleucine) has undergone oxidation so a to introduce a hydroxy group at the carbon bearing the two methyl groups.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12R)-12-hydroxyoctadec-9-enoic (ricinoleic) acid.


cyclosporin A metabolite M17

A cyclosporin A derivative that is cyclosporin A in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has undergone allylic oxidation to give the corresponding primary allylic alcohol. It specifically inhibits growth of renal cells in culture.


tetramic acids

Compounds containing a tetramic acid (pyrrolidine-2,4-dione) ring system.


A flavin mononucleotide that is FMN in which the 8-methyl group has been oxidised to the corresponding aldehyde.


A flavin mononucleotide that is FMN in which the 8-methyl group has been oxidised to the corresponding carboxylic acid.


cyclosporin A metabolite M8

A cyclosporin A derivative that is cyclosporin A in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has undergone allylic oxidation to give the corresponding primary allylic alcohol, and in which residue 9 (N-methylleucine) has undergone oxidation so as to introduce a hydroxy group at the carbon bearing the two methyl groups.


D-hexose phosphate(2-)

An organophosphate oxoanion that is the dianion of any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule. (Formula C6H11O9P).


An alpha-D-galactosyl group derived from beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal The minimum precursor oligosaccharide sequence required by the ABO blood group system to form antigens. This sequence is for Type 1 chains found in secretions.


cyclosporin A metabolite M16

A cyclosporin A derivative that is cyclosporin A in which residues 6 and 9 (both N-methylleucine) have undergone oxidation so a to introduce a hydroxy group at position 4 (the carbon bearing the two methyl groups) in each case.


cyclosporin A metabolite M9

A cyclosporin A derivative that is cyclosporin A in which the N-methylleucine residues at positions 6 and 9 have both undergone oxidation by hydroxylation at the carbon bearing the two methyl groups, and in which while the N-methylleucine residue at position 4 has undergone N-demethylation.


cyclosporin A metabolite M13

A cyclosporin A derivative that is cyclosporin A in which the residue-9 N-methylleucine moiety has undergone oxidation so as to introduce a hydroxy group at the carbon bearing the two methyl groups, while the residue-4 N-methylleucine moiety has undergone N-demethylation.


cyclosporin A metabolite M10

A cyclosporin A derivative that is cyclosporin A in which residues 4 and 9 (both N-methylleucine) have undergone oxidation so as to introduce a hydroxy group at position 4 (the carbon bearing the two methyl groups) in each case.


An anionic amino-acid residue obtained by deprotonation of the Neu5Ac carboxy groups of N(4)-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue; major species at pH 7.3.


An anionic amino-acid residue obtained by deprotonation of the Neu5Ac carboxy groups of N(4)-{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue; major species at pH 7.3.


An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn.


cyclosporin A metabolite M21

A cyclosporin A derivative that is cyclosporin A in which residue 4 (N-methylleucine) has undergone N-demethylation.


cyclosporin A metabolite M25

A cyclosporin A derivative that is cyclosporin A in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has undergone allylic oxidation to give the corresponding primary allylic alcohol, while residue 4, N-methylleucine, has undergone N-demethylation.


malacidin A

A homodetic cyclic peptide containing a 28-membered ring and consisting of 3-methyl-N-[(2E,4Z)-8-methylnona-2,4-dienoyl]-L-alpha-aspartyl, (2S)-2,3-diaminobutanoyl, D-valyl, L-lysyl, 3-hydroxy-L-alpha-aspartyl, L-alpha-aspartyl, glycyl, 3-methyl-D-alpha-aspartyl, L-valyl, and (4R)-methyl-L-proline joined in sequence and cyclised by condensation of the beta-amino group of the 2,3-diaminobutanoyl residue with the carboxy group of the 4-methylproline residue.


malacidin B

A homodetic cyclic peptide that is malacidin A in which the (2E,4Z)-8-methylnona-2,4-dienoyl group has been replaced by a (2E,4Z)-8-methyldeca-2,4-dienoyl group.


cyclosporin A metabolite M18

A cyclosporin A derivative that is cyclosporin A metabolite M17 in which the hydroxy group at position 3 of residue 1 [(2S,3R,4R,6E)-3,8-dihydroxy-4-methyl-2-(methylamino)oct-6-enamide] has undergone addition to the double bond at position 6 to afford the corresponding dioxolane ring.


cyclosporin A metabolite M1cAL

A cyclosporin A derivative that is cyclosporin A metabolite M18 in which the 2-hydroxyethyl substituent of the dioxolane ring has been oxidised to give the corresponding aldehyde.


cyclosporin A metabolite M26

A cyclosporin A derivative that is cyclosporin A in which residue 9 (N-methylleucine) has been hydroxylated at the carbon bearing the two methyl groups and in which residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has been hydroxylated at position 8 while the hydroxy group at position 3 has undergone addition to the double bond to give the corresponding oxolane.


cyclosporin A metabolite M1A

A cyclosporin A derivative that is cyclosporin A in which the allylic methyl group of residue 1 [(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid] has been oxidised to the corresponding carboxylic acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of 3'-L-prolyl-AMP; major species at pH 7.3.


An alpha-D-galactosyl group derived from alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group. The H (O) antigen formed from a Type 1 precursor chain.


Any member of the class of hydroxyisoflavans that has two hydroxy substituents located at positions 2' and 4 as well as 3R,4R-stereochemistry.


hydroxyalbendazole

A member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group.


Any member of the class of hydroxyisoflavans that has a hydroxy substituent located at position 2 and 3R-stereochemistry.


hydroxyfenbendazole

A member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group.


O-hexadecanoyl-L-serine residue

An alpha-amino-acid residue that is an L-serine residue in which the alcoholic hydroxy group has been acylated with a hexadecanoyl group.


A galactosyl group derived from alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal. Antigen A formed in 'secretor' individuals


A galactosyl group derived from alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal. B Antigen formed in 'secretor' individuals.


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


A member of the class of menaquinones that is menaquinone-9 in which the double bond that is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a hydroxy group.


A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 16 and 17.


A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions.


A dihydroxydocosahexaenoic acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions.


An organophosphate oxoanion obtained by deprotonation of the phosphate and 5-hydroxy groups as well as protonation of the tertiary amino group of 21-phosphorifampicin. It is the major species at pH 7.3 (according to Marvin v 6.2.0.).


A docosanoid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 14S-positions.


An epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators


aspirin-triggered protectin D1

A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer).


A monohydroxybenzoate that is the conjugate base of 3-bromo-4-hydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An oxodocosahexaenoic acid that is (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid in which the oxo group is located at position 13. An intermediate of specialised proresolving mediators.


An docosanoid that is (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 13. An intermediate of specialised proresolving mediators.


A pyrimidinethione that is 6-propyl-2-thiouracil in which the propyl group at position 6 is replaced by a 2-hydroxyethyl group.


aspirin-triggered protectin D1(1-)

A dihydroxydocosahexaenoate that is the conjugate base of aspirin-triggered protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A member of the class of catechols carrying two bromo substituents at positions 3 and 5.


A hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid in which the hydroxy group is located at the 14S-position. An intermediate of specialised proresolving mediators


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 4,5-dichloropyrrole-2-carbonyl.


A hydroperoxy fatty acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14S. An intermediate of specialised proresolving mediators


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 5-chloropyrrole-2-carbonyl.


A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid in which the chiral centre at position 14 has S-configuration. An intermediate of specialised proresolving mediators.


15-deoxy-Delta(12,14)-prostaglandin J3

A prostaglandin J derivative comprising prostaglandin J3 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. An intermediate of specialised proresolving mediators


A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators


An epoxy fatty acid consisting of (4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid having an epoxy group located at the 16,17-position. An intermediate lipid in specialized proresolving mediators.


A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3,4,5-trichloropyrrole-2-carbonyl.


Cys-Asp-Gly

A tripeptide composed of L-cysteine, L-aspartic acid and glycine joined in sequence by peptide linkages.


A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.


A 3-oxo monocarboxylic acid anion that is the conjugate base of 4'-O-demethylsordarin, arising from deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid that is (9E,11E,13Z,15E,19Z)-docosapentaenoic acid carrying an epoxy group across positions 7 and 8 as well as a hydroxy substituent at position 17.  An intermediate of specialised proresolving mediators.


A docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An oxodocosahexaenoic acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid in which the oxo group is located at position 17. An intermediate of specialised proresolving mediators.


A docosanoid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying an oxo substituent at position 17. An intermediate of specialised proresolving mediators.


3-bromo-4-hydroxybenzoic acid

A monohydroxybenzoic acid that is 4-hydroxybenzoic acid carrying an additional bromo substituent at position 3.


3-bromo-4,5-dihydroxybenzoic acid

A dihydroxybenzoic acid that is 4,5-dihydroxybenzoic acid carrying an additional bromo substituent at position 3.


22-hydroxyprotectin D1

A docosanoid that is protectin D1 in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. An intermediate of specialised proresolving mediators


An icosanoid that is (6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid carrying an oxo substituent at position 5. An intermediate of specialised proresolving mediators.


A docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions.


A hydroperoxydocosapentaenoic acid that is (8E,10Z,13Z,15E,19Z)-docosapentaenooic acid carrying two hydroperoxy substituents at positions 7 and 17. An intermediate of specialised proresolving mediators.


A hydroxydocosapentaenoic acid that consists of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid carrying a hydroxy substituent at position 7. An intermediate of specialised proresolving mediators.


A hydroxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A oxodocosahexaenoic acid that consists of (4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators.


A docosanoid that consists of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators.


A docosanoid that is (8E,10E,12Z,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 7R and 14S. An intermediate of specialised proresolving mediators.


A docosanoid that is (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 13 and 14. An intermediate of specialised proresolving mediators.


A docosanoid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 14S and 21. An intermediate of specialised proresolving mediators.


sordaricin

A tetracyclic diterpenoid that is produced by several fungi including Sordaria araneosa.


A hydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A  monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.


A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators.


A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialized proresolving mediators


A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators


A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,11E,13E,15Z,19Z)-docosapentaenoic acid in which the hydrogens at the 10 pro-R and 17 pro-S positions have been replaced by hydroxy groups. It is an intermediate of specialized proresolving mediators.


A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators.


prostaglandin J3

A member of the class of prostaglandins J that is (5Z,9Z,13E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators


A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators.


A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators.


A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a cysteinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators.


A docosanoid that is (15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid carrying three hydroxy substituents at positions 7S, 8 and 17S. An intermediate of specialised proresolving mediators


A docosanoid that is (14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17. An intermediate of specialised proresolving mediators


A dihydroxydocosapentaenoic acid (DiHDPE) that is (8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid carrying two hydroxy substituents at positions 7 and 17. An intermediate of specialized proresolving mediators


Delta(12)-prostaglandin J3

A member of the class of prostaglandins J that is (5Z,9Z,12E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators and potent anti-leukemic agent.


An ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries two alpha-configured hydroxy groups at C-2 and C-3.


A member of the class of rifamycins that is rifamycin itself in which the hydroxy hydrogen at position 21 has been replaced by a phosphono group.


Any anthocyanidin cation that carries a hydroxy substituent at position 5.


5-hydroxyanthocyanin O-beta-D-glucoside

An anthocyanin cation that is any 5-hydroxyanthocyanidin in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue.


A docosanoid anion that is the conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


alpha-psychosine

A glycosylsphingoid consisting of sphingosine having an alpha-D-galactosyl residue attached at the 1-position.


A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


deoxyribonucleotide(1-) residue

An organic anionic group obtained by deprotonation of the phosphate OH group of any deoxyribonucleotide residue; major species at pH 7.3.


prostaglandin J3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


Any deoxyribonucleotide residue in which the phosphate OH group has been replaced by a methyl group.


Delta(12)-prostaglandin J3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration.


A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialised proresolving mediators


A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators.


A docosanoid anion that is the conjugate base of 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of 5'-triphosphoadenylyl-(2'->5')-adenosine. Major microspecies at pH 7.3.


quinaprilat

A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril.


A tetracyclic diterpenoid consisting of sordaricin in which the primary hydroxy hydrogen has been replaced by a 6-deoxy-beta-D-altropyranosyl group.


glutaurine zwitterion

A dipeptide zwitterion that is glutaurine in which a proton has been transferred from the carboxy group to the alpha-amino group.


An organosulfonate oxoanion resulting from the deprotonation of the sulfonic acid moiety of glutaurine zwitterion. The major species at pH 7.3.


3,5-dihydroxyanthranilic acid

A dihydroxybenzoic acid that is 3,5-dihydroxybenzoic acid substituted by an amino group at position 2.


crepenynate

A long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group.


A 1,2-diacyl-sn-glycerol 3-phosphate (sn-phosphatidic acid) in which the acyl groups at positions 1 and 2 are specified as decanoyl and stearoyl respectively.


A glycosyloxyisoflavone that is any 7-hydroxyisoflavone compound in which the 7-hydroxy group has been converted into its corresponding O-beta-D-glucoside.


Any beta-D-glucoside derived from beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose


Any glycoside derived from beta-D-galactosyl-(1->4)-beta-D-glucose.


Any glycoside derived from beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosamine


genistein 7-O-beta-D-glucoside(1-)

A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of genistein 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxygenistein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


hydroxy fatty acid ascaroside anion

A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any hydroxy fatty acid ascaroside; major species at pH 7.3.


An N-acetylneuraminate that is the conjugate base of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An N-acetylneuraminate obtained by deprotonation of the carboxy groups of any alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside; major species at pH 7.3.


phenyl acetates

An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of any phenol.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of FMNH(.). Major microspecies at pH 7.3


A polyanionic polymer corresponding to the major form of [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n at pH 7.3.


A docosanoid anion that is the conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A (2'->5')-dinucleotide composed of two adenosine residues with a triphosphate group at the 5' terminus.


hydrogen ((13)C)carbonate

A carbon oxoanion that is hydrogencarbonate in which the carbon is present as its (13)C isotope.


An oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phenyl sulfate oxoanion

An aryl sulfate oxoanion obtained by deprotonation of the sulfo group of any phenyl sulfate; major species at pH 7.3.


tefuryltrione

A racemate comprising equimolar amounts of (R)- and (S)-tefuryltrione. An inhibitor of 4-hydroxyphenyl-pyruvate dioxygenase, it is used as a herbicide for the treatment of annual and perennial weeds in rice paddies.


A beta-triketone that is 2-benzoylcyclohexane-1,3-dione in which the benzoyl group is substituted at positions 2, 3, and 4 by chlorine, (tetrahydrofuran-2-ylmethoxy)methyl, and methylsulfonyl groups, respectively.


(R)-tefuryltrione

A 2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione that has R configuration.


(S)-tefuryltrione

A 2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione that has S configuration.


triketone

A compound that contains three ketone functionalities.


beta-triketone

A triketone in which the each ketone functionality is located beta- to the other two.


primary carboxamide

A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.


secondary carboxamide

A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).


tertiary carboxamide

A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2).


Any beta-D-galactoside derived from alpha-L-fucosyl-(1->2)-beta-D-galactose.


Any beta-D-galactoside derived from alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose.


An anthracyline cation that is the conjugate acid of 13-deoxycarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3


An anthracyline cation that is the conjugate acid of (13R)-13-dihydrocarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3


Any hydroxyflavanone having a hydroxy substituent located at position 4'.


Any methoxyflavanone having a methoxy substituent located at position 4'.


A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


glucuronoxylan D-glucuronate polyanion

A polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan D-glucuronate. Major microspecies at pH 7.3


A polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan 4-O-methyl-D-glucuronate. Major microspecies at pH 7.3


An icosanoid anion that is the conjugate base of (6E,8Z,11Z,14Z,17Z)-5-oxoicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


hydroxy polyunsaturated fatty acid

Any polyunsaturated fatty acid carrying one or more hydroxy substituents.


A docosanoid anion that is the conjugate base of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


substituted beta-amino acid zwitterion

An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any substituted beta-amino acid; major species at pH 7.3.


22-hydroxyprotectin D1(1-)

A docosanoid anion that is the conjugate base of 22-hydroxyprotectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dihydroxydocosahexaenoate that is the conjugate base of (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Any methoxyflavanone having a methoxy substituent located at position 3'.


resolvin D5(1-)

A dihydroxydocosahexaenoate that is the conjugate base of resolvin D5, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Any methoxyisoflavone that has a methoxy group at the 7-position of the isoflavone moiety.


An N(4)-glycosylated L-asparagine residue that is a representation of high mannose glucans.


monosaccharide 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any monosaccharide 1-phosphate.This compound class represents generic and unspecified sugar 1-phosphates.


A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate OH groups of any UDP-monosaccharide. This compound class represents generic and unspecified UDP-sugars.


An anionic amino-acid residue residue that is a representation of high mannose glucans.


An N(4)-glycosylated L-asparagine residue that is a representation of high mannose glucans, but it is not known exactly which high mannose glucan is modified, (see EC 2.7.8.17 and EC 3.1.4.45)


An inositol phosphate oxoanion obtained by deprotonation of all but one of the phosphate and diphosphate OH groups of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxydocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An inositol phosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate. It is the major microspecies at pH 7.3.


A hydroxydocosahexaenoate that is the conjugate base of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cefiderocol

A fourth-generation siderophore cephalosporin antibiotic having {1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidinium-1-yl}methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino side groups located at positions 3 and 7 respectively, developed to combat a variety of bacterial pathogens, including beta-lactam- and carbapenem-resistant organisms.


Any flavanone in which the chiral centre at position 2 has S-configuration.


an aldopyranose

Any aldose having undefined stereochemistry. A representative structure is provided.


an aldono-1,5-lactone

Any aldono-1,5-lactone having undefined stereochemistry. A representative structure is provided.


A hydroperoxydocosapentaenoate that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate. A pentamer of (3R)-hydroxybutanoic acid; major microspecies at pH 7.3.


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid. A tetramer of (3R)-hydroxybutanoate; the major microspecies at pH 7.3.


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoic acid. It is a trimer of (3R)-hydroxybutanoate; major microspecies at pH 7.3.


A docosanoid anion that is the conjugate base of (8E,10Z,13Z,16Z,19Z)-7-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A diester resulting from the formal sequential esterification of the hydroxy group of one molecule of (3R)-3-hydroxybutyric acid with the carboxy group of a second, followed by the esterification of the hydroxy group of the product with the carboxy group of a third molecule of (3R)-3-hydroxybutyric acid. Isolated from the Japanese inedible mushroom Hypoxylon truncatum and also the sponge-derived actinomycete Micromonospora sp. RV43.


A docosanoid anion that is the conjugate base of (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A (3R)-3-hydroxybutanoic acid oligomer resulting from the formal intermolecular condensation of the hydroxy and carboxy groups of (3R)-3-hydroxybutanoic acid to give a chain in which four units of the monomer are linked together by three ester bonds.


A (3R)-3-hydroxybutanoic acid oligomer resulting from the formal repeated intermolecular condensation of the hydroxy and carboxy groups of (3R)-3-hydroxybutanoic acid to give a chain in which five units of the monomer are linked together by four ester bonds.


(3R)-3-hydroxybutanoic acid oligomer

An oligomer consisting of units of (3R)-3-hydroxybutanoic acid joined by esterification of the carboxy group of one unit with the 3-hydroxy group of the next.


A docosanoid anion that is the conjugate base of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of 16(S)-glutathionyl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3.


An ionic polymer obtained by deprotonation of the phosphate OH groups of any poly(nucleoside 5'-monophosphate).


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3.


tert-butyl ester

A carboxylic ester resulting from the formal condensation of a carboxylic acid with tert-butanol.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1-alkyl-sn-glycero-3-phospho-N-acylethanolamine; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion that is the conjugate base of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


ceftobiprole

A fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of hospital-acquired pneumonia (HAP, excluding ventilator-associated pneumonia, VAP) and community-acquired pneumonia (CAP).


IODOHIPPURATE

A member of the class of benzamides resulting from the formal condensation of the carboxy group of 2-iodobenzoic acid with the amino group of glycine.


A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.


A carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-iodohippuric acid.


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.


A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an undecanoyl group attached to the nitrogen.


A docosanoid anion that is the conjugate base of (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A docosanoid anion that is the conjugate base of 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An ammonium ion resulting from the protonation of the tertiary amino group of ketotifen.


A docosanoid anion that is the conjugate base of 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


eribaxaban

A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade.


betrixaban

A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade.


VR nerve agent

A organic thiophosphate that is the isobutyl ester of S-[2-(diethylamino)ethyl] O hydrogen methylphosphonothioate. A toxic nerve agent developed by the former Soviet Union.


A-230 nerve agent

A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(methyl)phosphoryl group. A toxic nerve agent developed by the former Soviet Union.


A-232 nerve agent

A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(methoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union.


A-234 nerve agent

A carboxamidine that is N,N-diethylethanimidamide in which the hydrogen attached to the imino nitrogen has been replaced by a fluoro(ethoxy)phosphoryl group. A toxic nerve agent developed by the former Soviet Union.


A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol.


desirudin

A heterodetic cyclic peptide composed of 65 amino acids joined in sequence and cyclised by three disulfide bridges between cysteine residues 6-14, 16-28 and 22-39. It is a highly specific inhibitor of thrombin and used as an anticoagulant in patients to prevent venous thromboembolism. Its amino acid sequence differs from natural hirudin by lack of sulfate group on Tyr-63.


A lysophosphatidylcholine 16:1 in which the acyl group is specified as (9Z)-hexadecenoyl and is located at either position 1 or 2.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-6-deoxy-alpha-D-altrose; major species at pH 7.3.


A 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has Z (cis-) configuration. An antibacterial agent isolated from a species of Pseudomonas.


A deuterated compound that is cholesterol in which the hydrogens at positions 2, 2, 3, 4, 4 and 6 are replaced by deuterium.


A member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups.


HAPALINDOLE H

A tetracyclic hapalindole alkaloid that is produced by the Stigonematales genus of cyanobacteria.


12-epi-hapalindole U

A tetracyclic hapalindole that is hapalindole U in which the carbon bearing the vinyl group has S configuration instead of R. It is produced by the Stigonematales genus of cyanobacteria.


12-epi-fischerindole U

A tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.


viridicatin

A hydroxyquinolone that is 3-hydroxyuinolin-2(1H)-one which is substituted at position 4 by a phenyl groups. Isolated from the mycelium of several Penicillium species, it exhibits strong antibiotic activity against M. tuberculosis and also against B. subtilis, S. aureus and S. cerevisiae.


A lysophosphatidylcholine in which the acyl group (position not specified) is linoleoyl.


An acyl-sn-glycero-3-phosphocholine in which the acyl group (with no specified position) is alpha-linolenoyl. Formula:C26H48NO7P.


A lysophosphatidylcholine in which the acyl group (position not specified) is (9Z)-12-hydroxyoctadec-9-enoyl. Formula:C26H52NO8P.


4-aminobutyl alpha-L-fucopyranoside

A glycoside that is alpha-L-fucose in which the hydrogen of the anomeric hydroxy group is replaced by a 4-aminobutyl group. A synthetic version of the alpha-fucosyl glycoside (AFG) epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2).


nona-N-acetyl-beta-D-glucosamine

An amino nonasaccharide consisting of nine (1->6)-linked N-acetyl-beta-D-glucosamine residues; a synthetic oligosaccharide version of  poly(N-acetyl-beta-D-glucosamine) (PNAG).


[6)-beta-D-GlcpNAc-(1->] residue

A monosaccharide residue obtained by removal of the anomeric hydroxy group and the hydrogen attached to the 6-hydroxy group of N-acetyl-beta-D-glucosamine.


A synthetic 17-mer oligopeptide derived from the Ara h2 protein comprising N-acetyl-L-alpha-glutamyl, L-arginyl, L-asparaginyl, L-prolyl, L-tyrosyl, L-seryl, L-prolyl, L-seryl, L-glutaminyl, L-asparaginyl, L-prolyl, L-tyrosyl, L-seryl, L-prolyl, L-seryl, L-glutaminyl and L-lysinamide residues coupled in sequence.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-[(1Z)-octadecenyl]-2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3.


A synthetic 17-mer oligopeptide derived from the Ara h2 protein comprising N(2)-acetyl-L-glutaminyl, L-glutaminyl, L-alpha-glutamyl, L-glutaminyl, L-glutaminyl, L-phenylalanyl, L-lysyl, L-arginyl, L-alpha-glutamyl, L-leucyl, L-arginyl, L-asparaginyl, L-leucyl, L-prolyl, L-glutaminyl, L-glutaminyl and L-lysinamide residues coupled in sequence.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 5-bromopyrrole-2-carbonyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 4,5-dibromopyrrole-2-carbonyl.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 3,4,5-tribromopyrrole-2-carbonyl.


ammonium sulfate nitrate

A mixture of ammonium sulfate and ammonium nitrate used as a feriliser to provide both nitrogen and sulfur nutrients.


A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both lauroyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both myristoyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both palmitoyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both stearoyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both acetyl. A synthetic acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A deuterated compound that is 3-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl]-1,2-diacyl-sn-glycerol in which the acyl groups at O-1 and O-2 are both palmitoyl-16,16,16-d3 ([16,16,16-(2)H3]palmitoyl). A synthetic isotopically labelled acyl homologue of the beta-glycolipid antigens (beta-GGLs) of Mycoplasma pneumoniae.


A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's.


A secondary carboxamide that is anthranilic acid in which the carboxy group has undergone condensation with the primary amino group of alpha-amino-epsilon-caprolactam, while the aryl-amino group has undergone condensation with the carboxy group of 1-benzothiophene-2-carboxylic acid. It is a selective, non-competitive antagonist of tropomyosin receptor kinase B (TrkB, also known as tyrosine receptor kinase B).


A monocarboxylic acid anion that is the conjugate base of hederagenin, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of gypsogenin, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


name: 5-trans-17-phenyl trinor Prostaglandin F2alpha ethyl amide


triricinolein

A triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil.


diricinolein

A diglyceride in which any two of the R groups (positions not specified) are acyl groups specified as ricinoleoyl ((9Z,12R)-12-hydroxyoctadec-9-enoyl), while the remaining R group is H.


A hydroxamic acid that is N-methylpyrrole which is substituted at positions 2 and 5 by 3-(hydroxyamino)-3-oxoprop-1-en-1-yl and 3-(m-fluorophenyl)-3-oxoprop-1-en-1-yl groups, respectively. It is a potent and selective inhibitor of class II (IIa) histone deacetylase (HDAC II).


pavinetant

A member of the class of quinolines that is the amide obtained by formal condensation of the carboxy group of 3-[(methanesulfonyl)amino]-2-phenylquinoline-4-carboxylic acid with the amino group of (1S)-1-phenylpropan-1-amine. A neurokinin-3 receptor antagonist that has been trialled as a potential drug for treatment of schizophrenia and menopausal symptoms.


N-(beta-D-glucopyranosyl)indole

An N-glycosyl compound that is 1H-indole in which the hydrogen attached to the nitrogen has been replaced by a beta-D-glucosyl group. A (non-fluorescent) constituent of the death fluorescence compounds of C. elegans. SMID ID: iglu#1.


A nucleic acid (single-stranded DNA) aptamer consisting of nine deoxyguanosine and six thymidine residues connected by 3'->5' phosphodiester linkages in the sequence G-G-T-T-G-G-T-G-T-G-G-T-T-G-G. One of a family of aptamers that bind to and lead to the neutralization of autoantibodies (AABs) that are directed against G-protein-coupled receptors (GPCR-AABs).


aptamer

An oligonucleotide or peptide engineered to bind to a specific target molecule.


nucleic acid aptamer

An aptamer that is a nucleic acid species engineered to bind to various molecular targets such as small molecules, proteins, nucleic acids, cells, tissues and organisms.


peptide aptamer

An aptamer that is an artificial protein selected or engineered to bind a specific target molecule.


The x-ref from CHEBI:132253 to MetaCyc CPD-17068 is wrong


A polysaccharide derivative with a repeating unit consisting of alpha-D-galactosyl, 2-O-acetyl-beta-L-rhamnosyl, beta-D-glucosyl and N-acetyl-beta-D-galactosaminyl residues linked sequentially (1->3), (1->4) and (1->3), to the galactosyl and N-acetyl-beta-D-galactosaminyl residues of which are attached respectively a beta-D-galactosyl residue and an N-acetyl-alpha-D-glucosaminyl-(1->2)-alpha-L-rhamnosyl disaccharide unit via (1->2) and (1->4) linkages respectively, with all repeating units being linked (1->6). The repeating unit corresponds to that of the capsular polysaccharide of Streptococcus pneumoniae serotype 7F (ST7F).