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CHEBI:89098 - PC(20:1(11Z)/22:1(13Z))

ChEBI IDCHEBI:89098
ChEBI NamePC(20:1(11Z)/22:1(13Z))
Stars
DownloadsMolfile
FormulaC50H96NO8P
Net Charge0
Average Mass870.291
Monoisotopic Mass869.68736
SMILES[H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H96NO8P/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/h20-23,48H,6-19,24-47H2,1-5H3/b22-20-,23-21-/t48-/m1/s1
InChIKeyMUFCWCXVLIXBJC-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(20:1(11Z)/22:1(13Z)) (CHEBI:89098) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC(42:2)HMDB
LecithinHMDB
GPCho(20:1n9/22:1n9)HMDB
PC aa C42:2HMDB
PC(20:1/22:1)HMDB
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
Manual XrefsDatabases
HMDB0008316HMDB
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
Citations