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CHEBI:89442 - PC(18:3(9Z,12Z,15Z)/20:0)

ChEBI IDCHEBI:89442
ChEBI NamePC(18:3(9Z,12Z,15Z)/20:0)
Stars
DownloadsMolfile
FormulaC46H86NO8P
Net Charge0
Average Mass812.167
Monoisotopic Mass811.60911
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)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
InChIKeyCFHMUBPSPSTZCR-LITWNLNFSA-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(18:3(9Z,12Z,15Z)/20:0) (CHEBI:89442) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC(18:3/20:0)HMDB
GPCho(18:3w3/20:0)HMDB
Phosphatidylcholine(18:3/20:0)HMDB
(2-{[(2R)-2-(icosanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(38:3)HMDB
PC aa C38:3HMDB
Manual XrefsDatabases
HMDB0008208HMDB
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
Citations