EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178736 - PA(14:0/22:1(11Z))

ChEBI IDCHEBI:178736
ChEBI NamePA(14:0/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O8P
Net Charge0
Average Mass702.995
Monoisotopic Mass702.51996
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-14-12-10-8-6-4-2/h18-19,37H,3-17,20-36H2,1-2H3,(H2,42,43,44)/b19-18-/t37-/m1/s1
InChIKeyCEZQNPFSTSOBJQ-OUJJLNDXSA-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(14:0/22:1(11Z)) (CHEBI:178736) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP10010104LIPID MAPS