CHEBI:89580 - PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PC(18:2(9Z,12Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:89580
Stars This entity has been manually annotated by a third party.
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Formula C46H82NO8P
Net Charge 0
Average Mass 808.121
Monoisotopic Mass 807.57781
InChI InChI=1S/C46H82NO8P/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/h14-17,20-22,24-25,27,44H,6-13,18-19,23,26,28-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-,27-25-/t44-/m1/s1
InChIKey SMIXWIPQRZURJV-GMLOEBGYSA-N
SMILES C([C@@](COC(CCCCCCC/C=C\C/C=C\CCCCC)=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(18:2(9Z,12Z)/20:3(8Z,11Z,14Z)) (CHEBI:89580) 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-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Linoleoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphocholine HMDB
1-Linoleoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:2/20:3) HMDB
GPCho(18:2n6/20:3n6) HMDB
GPCho(18:2w6/20:3w6) HMDB
GPCho(38:5) HMDB
Lecithin HMDB
PC aa C38:5 HMDB
PC(18:2/20:3) HMDB
PC(18:2n6/20:3n6) HMDB
PC(18:2w6/20:3w6) HMDB
PC(38:5) HMDB
Phosphatidylcholine(18:2/20:3) HMDB
Phosphatidylcholine(18:2n6/20:3n6) HMDB
Phosphatidylcholine(18:2w6/20:3w6) HMDB
Phosphatidylcholine(38:5) HMDB
Manual Xrefs Databases
HMDB0008146 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC