EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:178436 - PA(20:0/17:0)

ChEBI IDCHEBI:178436
ChEBI NamePA(20:0/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H79O8P
Net Charge0
Average Mass719.038
Monoisotopic Mass718.55126
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H79O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(41)46-36-38(37-47-49(43,44)45)48-40(42)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H2,43,44,45)/t38-/m1/s1
InChIKeyMXXYVFQUPKTUEE-KXQOOQHDSA-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(20:0/17:0) (CHEBI:178436) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] icosanoate
Manual XrefsDatabases
74876810ChemSpider
HMDB0115066HMDB
LMGP10010513LIPID MAPS