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CHEBI:89997 - PC(o-22:1(13Z)/22:2(13Z,16Z))

ChEBI IDCHEBI:89997
ChEBI NamePC(o-22:1(13Z)/22:2(13Z,16Z))
Stars
DownloadsMolfile
FormulaC52H100NO7P
Net Charge0
Average Mass882.346
Monoisotopic Mass881.72374
SMILES[H][C@@](COCCCCCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,51H,6-14,16,18-19,24-50H2,1-5H3/b17-15-,22-20-,23-21-/t51-/m1/s1
InChIKeyVCODWVLGDPOACA-DRGSQYEJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(o-22:1(13Z)/22:2(13Z,16Z)) (CHEBI:89997) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
Phosphatidylcholine(22:1n9/22:2n6)HMDB
1-Erucyl-2-docosadienoyl-sn-glycero-3-phosphocholineHMDB
PC(22:1n9/22:2n6)HMDB
Phosphatidylcholine(44:3)HMDB
PC(22:1w9/22:2w6)HMDB
Phosphatidylcholine(22:1w9/22:2w6)HMDB
Manual XrefsDatabases
HMDB0013452HMDB
Citations