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CHEBI:89585 - PC(18:2(9Z,12Z)/22:1(13Z))

ChEBI IDCHEBI:89585
ChEBI NamePC(18:2(9Z,12Z)/22:1(13Z))
Stars
DownloadsMolfile
FormulaC48H90NO8P
Net Charge0
Average Mass840.221
Monoisotopic Mass839.64041
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C48H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h15,17,20-22,26,46H,6-14,16,18-19,23-25,27-45H2,1-5H3/b17-15-,22-20-,26-21-/t46-/m1/s1
InChIKeyJJWICPUXGFOAPG-PUXNAPJVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(18:2(9Z,12Z)/22:1(13Z)) (CHEBI:89585) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
1-Linoleoyl-2-erucoyl-sn-glycero-3-phosphocholineHMDB
GPCho(18:2w6/22:1w9)HMDB
GPCho(40:3)HMDB
PC aa C40:3HMDB
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(18:2/22:1)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008151HMDB
LecithinWikipedia
Citations