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CHEBI:89895 - PC(o-18:0/18:2(9Z,12Z))

ChEBI IDCHEBI:89895
ChEBI NamePC(o-18:0/18:2(9Z,12Z))
Stars
DownloadsMolfile
FormulaC44H86NO7P
Net Charge0
Average Mass772.146
Monoisotopic Mass771.61419
SMILES[H][C@@](COCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,43H,6-14,16,18-20,22,24-42H2,1-5H3/b17-15-,23-21-/t43-/m1/s1
InChIKeyLMGTVCKIUNTOEP-HJTCUGKVSA-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-18:0/18:2(9Z,12Z)) (CHEBI:89895) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
PC(18:0/18:2)HMDB
trimethyl(2-{[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecyloxy)propyl phosphonato]oxy}ethyl)azaniumHMDB
Phosphatidylcholine(18:0/18:2w6)HMDB
GPCho(18:0/18:2)HMDB
GPCho(18:0/18:2n6)HMDB
PC(18:0/18:2n6)HMDB
Manual XrefsDatabases
HMDB0013418HMDB
Citations