CHEBI:89619 - PC(18:1(9Z)/20:2(11Z,14Z))

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ChEBI Name PC(18:1(9Z)/20:2(11Z,14Z))
ChEBI ID CHEBI:89619
Stars This entity has been manually annotated by a third party.
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Formula C46H86NO8P
Net Charge 0
Average Mass 812.152
Monoisotopic Mass 811.60911
InChI InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1
InChIKey MGYXVNKVMWUCEN-UETRTARBSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\CCCCCCCC)=O)(OC(CCCCCCCCC/C=C\C/C=C\CCCCC)=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
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
ChEBI Ontology
Outgoing PC(18:1(9Z)/20:2(11Z,14Z)) (CHEBI:89619) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Oleoyl-2-eicosadienoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/20:2) HMDB
GPCho(18:1n9/20:2n6) HMDB
GPCho(18:1w9/20:2w6) HMDB
GPCho(38:3) HMDB
Lecithin HMDB
PC aa C38:3 HMDB
PC(18:1/20:2) HMDB
PC(18:1n9/20:2n6) HMDB
PC(18:1w9/20:2w6) HMDB
PC(38:3) HMDB
Phosphatidylcholine(18:1/20:2) HMDB
Phosphatidylcholine(18:1n9/20:2n6) HMDB
Phosphatidylcholine(18:1w9/20:2w6) HMDB
Phosphatidylcholine(38:3) HMDB
Manual Xrefs Databases
HMDB0008111 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC