EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179084 - PA(22:1(11Z)/12:0)

ChEBI IDCHEBI:179084
ChEBI NamePA(22:1(11Z)/12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H71O8P
Net Charge0
Average Mass674.941
Monoisotopic Mass674.48866
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C37H71O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-23-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1
InChIKeyWTZJEYIQLMYSBB-QEJMHMKOSA-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)/12:0) (CHEBI:179084) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-dodecanoyloxy-3-phosphonooxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010724LIPID MAPS