EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196840 - PA(21:0/20:1(11Z))

ChEBI IDCHEBI:196840
ChEBI NamePA(21:0/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H85O8P
Net Charge0
Average Mass773.130
Monoisotopic Mass772.59821
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-43(45)50-40-42(41-51-53(47,48)49)52-44(46)39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,42H,3-17,19,21-41H2,1-2H3,(H2,47,48,49)/b20-18-/t42-/m1/s1
InChIKeyVAWVNLILBNWIQR-PEBSJOBXSA-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(21:0/20:1(11Z)) (CHEBI:196840) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropyl] henicosanoate
Manual XrefsDatabases
LMGP10010692LIPID MAPS
113379209ChemSpider