CHEBI:89140 - PC(20:2(11Z,14Z)/22:2(13Z,16Z))

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ChEBI Name PC(20:2(11Z,14Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:89140
Stars This entity has been manually annotated by a third party.
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Formula C50H92NO8P
Net Charge 0
Average Mass 866.243
Monoisotopic Mass 865.65606
InChI InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,48H,6-13,18-19,24-47H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t48-/m1/s1
InChIKey VHZGGUTXBMEKQA-OARALLPOSA-N
SMILES C([C@@](COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(OC(CCCCCCCCCCC/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 saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing PC(20:2(11Z,14Z)/22:2(13Z,16Z)) (CHEBI:89140) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Eicosadienoyl-2-docosadienoyl-sn-glycero-3-phosphocholine HMDB
GPCho(20:2/22:2) HMDB
GPCho(20:2n6/22:2n6) HMDB
GPCho(20:2w6/22:2w6) HMDB
GPCho(42:4) HMDB
Lecithin HMDB
PC aa C42:4 HMDB
PC(20:2/22:2) HMDB
PC(20:2n6/22:2n6) HMDB
PC(20:2w6/22:2w6) HMDB
PC(42:4) HMDB
Phosphatidylcholine(20:2/22:2) HMDB
Phosphatidylcholine(20:2n6/22:2n6) HMDB
Phosphatidylcholine(20:2w6/22:2w6) HMDB
Phosphatidylcholine(42:4) HMDB
Manual Xrefs Databases
HMDB0008350 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC