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

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ChEBI Name PC(18:2(9Z,12Z)/22:1(13Z))
ChEBI ID CHEBI:89585
Stars This entity has been manually annotated by a third party.
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Formula C48H90NO8P
Net Charge 0
Average Mass 840.206
Monoisotopic Mass 839.64041
InChI InChI=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
InChIKey JJWICPUXGFOAPG-PUXNAPJVSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing PC(18:2(9Z,12Z)/22:1(13Z)) (CHEBI:89585) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Linoleoyl-2-erucoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:2/22:1) HMDB
GPCho(18:2n6/22:1n9) HMDB
GPCho(18:2w6/22:1w9) HMDB
GPCho(40:3) HMDB
Lecithin HMDB
PC aa C40:3 HMDB
PC(18:2/22:1) HMDB
PC(18:2n6/22:1n9) HMDB
PC(18:2w6/22:1w9) HMDB
PC(40:3) HMDB
Phosphatidylcholine(18:2/22:1) HMDB
Phosphatidylcholine(18:2n6/22:1n9) HMDB
Phosphatidylcholine(18:2w6/22:1w9) HMDB
Phosphatidylcholine(40:3) HMDB
Manual Xrefs Databases
HMDB0008151 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC