EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179074 - PA(14:0/20:1(11Z))

ChEBI IDCHEBI:179074
ChEBI NamePA(14:0/20:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H71O8P
Net Charge0
Average Mass674.941
Monoisotopic Mass674.48866
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-14-12-10-8-6-4-2/h16-17,35H,3-15,18-34H2,1-2H3,(H2,40,41,42)/b17-16-/t35-/m1/s1
InChIKeyLCTKESRXOZSUCR-XHYHITGYSA-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(14:0/20:1(11Z)) (CHEBI:179074) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (Z)-icos-11-enoate
Manual XrefsDatabases
LMGP10010100LIPID MAPS
75336457ChemSpider