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CHEBI:182015 - [(2R)-1,1,2,3,3-Pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate

ChEBI IDCHEBI:182015
ChEBI Name[(2R)-1,1,2,3,3-Pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H74D5O10P
Net Charge0
Average Mass768.078
Monoisotopic Mass767.57247
SMILES[2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCC)[C@@]([2H])(OC(=O)CCCCCCC/C=C\CCCCCCCC)C([2H])([2H])OP(=O)(O)OCC(O)CO
InChIInChI=1S/C41H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38-39,42-43H,3-16,18,20-37H2,1-2H3,(H,46,47)/b19-17-/t38?,39-/m1/s1/i36D2,37D2,39D
InChIKeySTEDXSJDFPVFJC-LDQIZZEHSA-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-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate (CHEBI:182015) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1,1,2,3,3-pentadeuterio-1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate