CHEBI:89868 - PC(o-18:2(9Z,12Z)/22:0)

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ChEBI Name PC(o-18:2(9Z,12Z)/22:0) ChEBI ID CHEBI:89868 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C48H94NO7P Net Charge 0 Average Mass 828.238 Monoisotopic Mass 827.67679 InChI InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,47H,6-14,16,18-20,22,24-46H2,1-5H3/b17-15-,23-21-/t47-/m1/s1 InChIKey DMPIMBNFIDOLGO-DTRJYZOJSA-N SMILES O(C[C@](COP([O-])(=O)OCC[N+](C)(C)C)(OC(CCCCCCCCCCCCCCCCCCCCC)=O)[H])CCCCCCCC/C=C\C/C=C\CCCCC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation) ChEBI Ontology Outgoing PC(o-18:2(9Z,12Z)/22:0) (CHEBI:89868) is a glycerophosphocholine (CHEBI:36313) Synonyms Sources (2-{[(2R)-2-(docosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium HMDB 1-Linoleyl-2-behenoyl-sn-glycero-3-phosphocholine HMDB GPCho(18:2/22:0) HMDB GPCho(18:2n6/22:0) HMDB GPCho(18:2w6/22:0) HMDB GPCho(40:2) HMDB Lecithin HMDB PC ae C40:2 HMDB PC(18:2/22:0) HMDB PC(18:2n6/22:0) HMDB PC(18:2w6/22:0) HMDB PC(40:2) HMDB PC(O-40:2) HMDB Phosphatidylcholine(18:2/22:0) HMDB Phosphatidylcholine(18:2n6/22:0) HMDB Phosphatidylcholine(18:2w6/22:0) HMDB Phosphatidylcholine(40:2) HMDB Manual Xref Database HMDB0013437 HMDB View more database links Citation Type Source 24023812 PubMed citation Europe PMC