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CHEBI:137121 - PC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:137121
ChEBI NamePC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
ASCII NamePC(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Last Modified24 May 2017
Submittermwilliams
DownloadsMolfile
FormulaC50H82NO8P
Net Charge0
Average Mass856.179
Monoisotopic Mass855.57781
SMILES[H][C@@](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)(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/C50H82NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
InChIKeyNBMCSOJQWVAWGA-TWAKRUQDSA-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(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:137121) is a phosphatidylcholine (20:3/22:6) (CHEBI:136100)
Manual XrefsDatabases
HMDB0008387HMDB
24767047ChemSpider