CHEBI:89695 - PC(18:1(11Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PC(18:1(11Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:89695
Stars This entity has been manually annotated by a third party.
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Formula C46H84NO8P
Net Charge 0
Average Mass 810.137
Monoisotopic Mass 809.59346
InChI InChI=1S/C46H84NO8P/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/h14,16-17,19-20,22,25,27,44H,6-13,15,18,21,23-24,26,28-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-/t44-/m1/s1
InChIKey ILTMNYOFBVFSJD-NIUYMHGESA-N
SMILES C([C@@](COC(CCCCCCCCC/C=C\CCCCCC)=O)(OC(CCCCCC/C=C\C/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(11Z)/20:3(8Z,11Z,14Z)) (CHEBI:89695) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Vaccenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphocholine HMDB
1-Vaccenoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:1/20:3) HMDB
GPCho(18:1n7/20:3n6) HMDB
GPCho(18:1w7/20:3w6) HMDB
GPCho(38:4) HMDB
Lecithin HMDB
PC aa C38:4 HMDB
PC(18:1/20:3) HMDB
PC(18:1n7/20:3n6) HMDB
PC(18:1w7/20:3w6) HMDB
PC(38:4) HMDB
Phosphatidylcholine(18:1/20:3) HMDB
Phosphatidylcholine(18:1n7/20:3n6) HMDB
Phosphatidylcholine(18:1w7/20:3w6) HMDB
Phosphatidylcholine(38:4) HMDB
Manual Xrefs Databases
HMDB0008080 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC