CHEBI:88731 - PC(22:1(13Z)/20:3(5Z,8Z,11Z))

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ChEBI Name PC(22:1(13Z)/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:88731
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/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h20-23,29,31,35,37,48H,6-19,24-28,30,32-34,36,38-47H2,1-5H3/b22-20-,23-21-,31-29-,37-35-/t48-/m1/s1
InChIKey UMAICRBPHIYESB-DNBQMDTNSA-N
SMILES C([C@@](COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)(OC(CCC/C=C\C/C=C\C/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
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(22:1(13Z)/20:3(5Z,8Z,11Z)) (CHEBI:88731) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms Sources
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB
1-Erucoyl-2-meadoyl-sn-glycero-3-phosphocholine HMDB
GPCho(22:1/20:3) HMDB
GPCho(22:1n9/20:3n9) HMDB
GPCho(22:1w9/20:3w9) HMDB
GPCho(42:4) HMDB
Lecithin HMDB
PC aa C42:4 HMDB
PC(22:1/20:3) HMDB
PC(22:1n9/20:3n9) HMDB
PC(22:1w9/20:3w9) HMDB
PC(42:4) HMDB
Phosphatidylcholine(22:1/20:3) HMDB
Phosphatidylcholine(22:1n9/20:3n9) HMDB
Phosphatidylcholine(22:1w9/20:3w9) HMDB
Phosphatidylcholine(42:4) HMDB
Manual Xrefs Databases
HMDB0008572 HMDB
Lecithin Wikipedia
PHOSPHATIDYLCHOLINE MetaCyc
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC