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CHEBI:137585 - 2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:137585
ChEBI Name2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl
Last Modified1 September 2017
Submitternhn
DownloadsMolfile
FormulaC28H50NO10P
Net Charge0
Average Mass591.679
Monoisotopic Mass591.31723
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C28H50NO10P/c1-5-6-9-12-22(31)15-16-25-24(26(32)19-27(25)33)13-10-7-8-11-14-28(34)39-23(20-30)21-38-40(35,36)37-18-17-29(2,3)4/h7,10,15-16,22-25,27,30-31,33H,5-6,8-9,11-14,17-21H2,1-4H3/b10-7-,16-15+/t22-,23+,24+,25+,27+/m0/s1
InChIKeyQFBMVHPGUOVSGP-QJRTVADPSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (27642067 )
Mus musculus (ncbitaxon:10090) - PubMed (27642067 )
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) has functional parent prostaglandin E2 (CHEBI:15551)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) has role human xenobiotic metabolite (CHEBI:76967)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) has role mouse metabolite (CHEBI:75771)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) is a 2-acyl-sn-glycero-3-phosphocholine (CHEBI:57875)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) is a oxidized 2-acyl-sn-glycero-3-phosphocholine zwitterion (CHEBI:167119)
2-[(5Z,13E,15S)-11α,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine (CHEBI:137585) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2R)-2-{[(5Z,11α,13E,15S)-11,15-dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy}-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
2-[9-oxo-(11R,15S)-dihydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphocholineSUBMITTER
2-(prostaglandin E2)-LPCChEBI
UniProt Name  Source
2-(prostaglandin E2)-sn-glycero-3-phosphocholineUniProt
Citations