EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181370 - [(2R)-1,1,2,3,3-Pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate

ChEBI IDCHEBI:181370
ChEBI Name[(2R)-1,1,2,3,3-Pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H70D5O10P
Net Charge0
Average Mass740.024
Monoisotopic Mass739.54117
SMILES[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCC)[C@@]([2H])(OC(=O)CCCCCCC/C=C\CCCCCC)C([2H])([2H])OP(=O)(O)OCC(O)CO
InChIInChI=1S/C39H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,36-37,40-41H,3-13,15,17-35H2,1-2H3,(H,44,45)/b16-14-/t36?,37-/m1/s1/i34D2,35D2,37D
InChIKeyMHNGEXBQDYOSOH-CTKPZJSYSA-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)
[(2R)-1,1,2,3,3-Pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate (CHEBI:181370) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1,1,2,3,3-pentadeuterio-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate