CHEBI:89879 - PC(o-18:1(11Z)/18:2(9Z,12Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name PC(o-18:1(11Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:89879
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C44H84NO7P
Net Charge 0
Average Mass 770.116
Monoisotopic Mass 769.59854
InChI InChI=1S/C44H84NO7P/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/h15-18,21,23,43H,6-14,19-20,22,24-42H2,1-5H3/b17-15-,18-16-,23-21-/t43-/m1/s1
InChIKey KBRIWDRDGVERBB-VXKJXORPSA-N
SMILES O(C[C@](COP([O-])(=O)OCC[N+](C)(C)C)(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)[H])CCCCCCCCCC/C=C\CCCCCC
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-18:1(11Z)/18:2(9Z,12Z)) (CHEBI:89879) is a glycerophosphocholine (CHEBI:36313)
Synonyms Sources
1-Vaccenyl-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 ae 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
PC(O-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-en-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)azanium HMDB
Manual Xref Database
HMDB0013425 HMDB
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Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC