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CHEBI:137153 - PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:137153
ChEBI NamePC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
ASCII NamePC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Last Modified26 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC48H80NO8P
Net Charge0
Average Mass830.141
Monoisotopic Mass829.56216
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,18-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1
InChIKeyFCTKCFNDGVBOBD-YZXVGOFNSA-N
Roles Classification
Biological Role:
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137153) is a phosphatidylcholine (18:2/22:6) (CHEBI:136091)
Synonym  Source
1-(9Z,12Z-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholineLIPID MAPS
Manual XrefsDatabases
LMGP01010947LIPID MAPS
HMDB0008156HMDB