EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196838 - PA(19:1(9Z)/22:0)

ChEBI IDCHEBI:196838
ChEBI NamePA(19:1(9Z)/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85O8P
Net Charge0
Average Mass773.130
Monoisotopic Mass772.59821
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h20,24,42H,3-19,21-23,25-41H2,1-2H3,(H2,47,48,49)/b24-20-/t42-/m1/s1
InChIKeyXGBVCVYQXLMFFH-MLIYJITJSA-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(19:1(9Z)/22:0) (CHEBI:196838) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(Z)-nonadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] docosanoate
Manual XrefsDatabases
113379138ChemSpider
LMGP10010504LIPID MAPS