EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196876 - PG(14:0/21:0)

ChEBI IDCHEBI:196876
ChEBI NamePG(14:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H81O10P
Net Charge0
Average Mass765.063
Monoisotopic Mass764.55674
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C41H81O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,46,47)/t38-,39+/m0/s1
InChIKeyGLKFPORBNMRRRL-ZESVVUHVSA-N
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(14:0/21:0) (CHEBI:196876) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113376857ChemSpider
LMGP04010105LIPID MAPS