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CHEBI:89413 - PC(18:3(9Z,12Z,15Z)/24:1(15Z))

ChEBI IDCHEBI:89413
ChEBI NamePC(18:3(9Z,12Z,15Z)/24:1(15Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,48H,6-8,10,12-14,16,18-19,23-27,29-47H2,1-5H3/b11-9-,17-15-,22-20-,28-21-/t48-/m1/s1
InChIKeyTWBJVLQZDLTKLG-XRNMTXJFSA-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(18:3(9Z,12Z,15Z)/24:1(15Z)) (CHEBI:89413) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
trimethyl(2-{[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)azaniumHMDB
1-a-Linolenoyl-2-nervonoyl-sn-glycero-3-phosphocholineHMDB
PC(18:3w3/24:1w9)HMDB
GPCho(18:3/24:1)HMDB
PC aa C42:4HMDB
GPCho(42:4)HMDB
Manual XrefsDatabases
LecithinWikipedia
HMDB0008224HMDB
PHOSPHATIDYLCHOLINEMetaCyc
Citations