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CHEBI:139560 - 2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:139560
ChEBI Name2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9Z)-12-hydroxyoctadec-9-enoyl.
Last Modified19 March 2018
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC26H52NO8P
Net Charge0
Average Mass537.675
Monoisotopic Mass537.34305
SMILESCCCCCCC(O)C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C26H52NO8P/c1-5-6-7-14-17-24(29)18-15-12-10-8-9-11-13-16-19-26(30)35-25(22-28)23-34-36(31,32)33-21-20-27(2,3)4/h12,15,24-25,28-29H,5-11,13-14,16-23H2,1-4H3/b15-12-/t24?,25-/m1/s1
InChIKeyNWKGPTOQIOBTPZ-QOPIDNHZSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine (CHEBI:139560) has functional parent (9Z)-12-hydroxyoctadec-9-enoic acid (CHEBI:85639)
2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine (CHEBI:139560) is a 2-acyl-sn-glycero-3-phosphocholine (CHEBI:57875)
2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine (CHEBI:139560) is a ricinoleoyl-sn-glycero-3-phosphocholine (CHEBI:140446)
IUPAC Name 
(2R)-3-hydroxy-2-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonym  Source
2-(12-hydroxyoleoyl)-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
2-(12-hydroxy-9Z-octadecenoyl)-sn-glycero-3-phosphocholineUniProt
Citations