CHEBI:137410 - (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1−)

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ChEBI Name (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1−) ChEBI ID CHEBI:137410 ChEBI ASCII Name (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) Definition A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl α-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36NO5S Net Charge -1 Average Mass 462.624 Monoisotopic Mass 462.23197 InChI InChI=1S/C25H37NO5S/c1-2-3-4-5-11-14-17-22(27)23(32-20-21(26)25(30)31)18-15-12-9-7-6-8-10-13-16-19-24(28)29/h3-4,6-7,9-15,18,21-23,27H,2,5,8,16-17,19-20,26H2,1H3,(H,28,29)(H,30,31)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t21-,22-,23+/m0/s1 InChIKey GIIVKOKEBBFSDI-AIYHDIOKSA-M SMILES [NH3+][C@H](C(=O)[O-])CS[C@H](/C=C/C=C/C=C\C/C=C\CCC([O-])=O)[C@H](C/C=C\C/C=C\CC)O Metabolite of Species Details Homo Sapiens (NCBI:txid9606) See: PubMed ChEBI Ontology Outgoing (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1−) (CHEBI:137410) is a docosanoid anion (CHEBI:131864) (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1−) (CHEBI:137410) is conjugate base of (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138209) Incoming (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid (CHEBI:138209) is conjugate acid of (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1−) (CHEBI:137410) IUPAC Name (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate Synonyms Sources (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate UniProt MCTR3(1−) SUBMITTER Citation Type Source 27791009 PubMed citation SUBMITTER Last Modified 17 August 2017