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CHEBI:88726 - PC(22:1(13Z)/20:1(11Z))

ChEBI IDCHEBI:88726
ChEBI NamePC(22:1(13Z)/20:1(11Z))
Stars
DownloadsMolfile
FormulaC50H96NO8P
Net Charge0
Average Mass870.291
Monoisotopic Mass869.68736
SMILES[H][C@@](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H96NO8P/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/h20-23,48H,6-19,24-47H2,1-5H3/b22-20-,23-21-/t48-/m1/s1
InChIKeyRDVFINNZTUFVCO-PIUCSNMVSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(22:1(13Z)/20:1(11Z)) (CHEBI:88726) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
(2-{[(2R)-3-[(13Z)-docos-13-enoyloxy]-2-[(11Z)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
PC aa C42:2HMDB
GPCho(22:1w9/20:1w9)HMDB
PC(22:1n9/20:1n9)HMDB
Phosphatidylcholine(22:1w9/20:1w9)HMDB
Phosphatidylcholine(42:2)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008570HMDB
LecithinWikipedia
Citations