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CHEBI:137104 - PA(12:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:137104
ChEBI NamePA(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
ASCII NamePA(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
Last Modified12 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC35H59O8P
Net Charge0
Average Mass638.823
Monoisotopic Mass638.39476
SMILES[H][C@@](COC(=O)CCCCCCCCCCC)(COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C35H59O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,33H,3-4,6,8-10,12,14,17,20-21,23,25-32H2,1-2H3,(H2,38,39,40)/b7-5-,13-11-,16-15-,19-18-,24-22-/t33-/m1/s1
InChIKeyHKNJYRNOKPLZRP-WPONNBHBSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:137104) is a phosphatidic acid 32:5 (CHEBI:137849)
Synonym  Source
1-dodecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphateLIPID MAPS
Manual XrefsDatabases
LMGP10010061LIPID MAPS