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CHEBI:89865 - PC(o-20:0/18:3(6Z,9Z,12Z))

Default Structure
ChEBI IDCHEBI:89865
ChEBI NamePC(o-20:0/18:3(6Z,9Z,12Z))
Stars
DownloadsMolfile
FormulaC46H88NO7P
Net Charge0
Average Mass798.184
Monoisotopic Mass797.62984
SMILES[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h15,17,21,25,29,31,45H,6-14,16,18-20,22-24,26-28,30,32-44H2,1-5H3/b17-15-,25-21-,31-29-/t45-/m1/s1
InChIKeyXHKFHCCQLHPBPZ-WKDUQDSSSA-N
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(o-20:0/18:3(6Z,9Z,12Z)) (CHEBI:89865) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
1-Arachidyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholineHMDB
1-Arachidyl-2-g-linolenoyl-sn-glycero-3-phosphocholineHMDB
(2-{[(2R)-3-(icosyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
GPCho(20:0/18:3)HMDB
GPCho(20:0/18:3n6)HMDB
GPCho(20:0/18:3w6)HMDB
Manual XrefsDatabases
HMDB0013439HMDB
Citations