CHEBI:89691 - PC(18:1(11Z)/18:2(9Z,12Z))

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name PC(18:1(11Z)/18:2(9Z,12Z)) ChEBI ID CHEBI:89691 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 Wikipedia License Read full article at Wikipedia Formula C44H82NO8P Net Charge 0 Average Mass 784.099 Monoisotopic Mass 783.57781 InChI InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,42H,6-14,19-20,22,24-41H2,1-5H3/b17-15-,18-16-,23-21-/t42-/m1/s1 InChIKey YBNAKFLXDDROCX-YGRWKTHCSA-N SMILES C([C@@](COC(CCCCCCCCC/C=C\CCCCCC)=O)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[H])OP([O-])(=O)OCC[N+](C)(C)C 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(18:1(11Z)/18:2(9Z,12Z)) (CHEBI:89691) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) Synonyms Sources 1-Vaccenoyl-2-linoleoyl-sn-glycero-3-phosphocholine HMDB GPCho(18:1/18:2) HMDB GPCho(18:1n7/18:2n6) HMDB GPCho(18:1w7/18:2w6) HMDB GPCho(36:3) HMDB Lecithin HMDB PC aa C36:3 HMDB PC(18:1/18:2) HMDB PC(18:1n7/18:2n6) HMDB PC(18:1w7/18:2w6) HMDB PC(36:3) HMDB Phosphatidylcholine(18:1/18:2) HMDB Phosphatidylcholine(18:1n7/18:2n6) HMDB Phosphatidylcholine(18:1w7/18:2w6) HMDB Phosphatidylcholine(36:3) HMDB trimethyl(2-{[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium HMDB Manual Xrefs Databases HMDB0008072 HMDB Lecithin Wikipedia PHOSPHATIDYLCHOLINE MetaCyc View more database links Citation Type Source 24023812 PubMed citation Europe PMC