EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178509 - PA(22:1(11Z)/13:0)

ChEBI IDCHEBI:178509
ChEBI NamePA(22:1(11Z)/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H73O8P
Net Charge0
Average Mass688.968
Monoisotopic Mass688.50431
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C38H73O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-26-28-30-32-37(39)44-34-36(35-45-47(41,42)43)46-38(40)33-31-29-27-24-14-12-10-8-6-4-2/h18-19,36H,3-17,20-35H2,1-2H3,(H2,41,42,43)/b19-18-/t36-/m1/s1
InChIKeyXUYSYZMHQAMPOY-UAIAYBLDSA-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(22:1(11Z)/13:0) (CHEBI:178509) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010725LIPID MAPS