EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179004 - PA(19:0/18:1(9Z))

ChEBI IDCHEBI:179004
ChEBI NamePA(19:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H77O8P
Net Charge0
Average Mass717.022
Monoisotopic Mass716.53561
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C40H77O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,38H,3-17,19,21-37H2,1-2H3,(H2,43,44,45)/b20-18-/t38-/m1/s1
InChIKeyZHTGIYSOMRWFSN-CFFKTVTHSA-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(19:0/18:1(9Z)) (CHEBI:179004) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] nonadecanoate
Manual XrefsDatabases
LMGP10010460LIPID MAPS