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CHEBI:89102 - PC(20:1(11Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:89102
ChEBI NamePC(20:1(11Z)/18:3(9Z,12Z,15Z))
Stars
DownloadsMolfile
FormulaC46H84NO8P
Net Charge0
Average Mass810.151
Monoisotopic Mass809.59346
SMILES[H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1
InChIKeyNOWQIXJSMOBJLS-LMJTUUMUSA-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)/18:3(9Z,12Z,15Z)) (CHEBI:89102) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
GPCho(20:1n9/18:3n3)HMDB
GPCho(20:1w9/18:3w3)HMDB
PC(20:1n9/18:3n3)HMDB
PC(20:1/18:3)HMDB
(2-{[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
Phosphatidylcholine(20:1w9/18:3w3)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
LecithinWikipedia
HMDB0008305HMDB
Citations