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CHEBI:88761 - PC(22:0/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:88761
ChEBI NamePC(22:0/20:4(8Z,11Z,14Z,17Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=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/h9,11,15,17,21,23,29,31,48H,6-8,10,12-14,16,18-20,22,24-28,30,32-47H2,1-5H3/b11-9-,17-15-,23-21-,31-29-/t48-/m1/s1
InChIKeyBUDCKLMBPWXPIS-BVGFWLPASA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
ChEBI Ontology
Outgoing Relation(s)
PC(22:0/20:4(8Z,11Z,14Z,17Z)) (CHEBI:88761) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
(2-{[(2R)-3-(docosanoyloxy)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
1-Behenoyl-2-eicsoatetraenoyl-sn-glycero-3-phosphocholineHMDB
PC aa C42:4HMDB
GPCho(42:4)HMDB
PC(22:0/20:4n3)HMDB
GPCho(22:0/20:4w3)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008543HMDB
LecithinWikipedia
Citations