ChEBI


 15 14  0  0  1  0  0  0  0  0  1 V2000
    9.8599   -8.0432    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.6910   -8.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0461   -8.0432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8737   -7.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8530   -8.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4323   -7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1737   -8.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4323   -6.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9082   -7.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1737   -8.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6530   -8.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4737   -8.0570    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3117   -8.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4875   -7.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4668   -8.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
> <ID>
CHEBI:16001

> <NAME>
3-phospho-D-glyceroyl dihydrogen phosphate

> <DEFINITION>
The (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1658; CHEBI:11881; CHEBI:20189

> <SYNONYM>
3-Phospho-D-glyceroyl phosphate; 1,3-Bisphospho-D-glycerate; (R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid

> <IUPAC_NAME>
(2R)-2-hydroxy-1-oxopropane-1,3-diyl bis(dihydrogen phosphate)

> <FORMULA>
C3H8O10P2

> <MASS>
266.03714

> <MONOISOTOPIC_MASS>
265.95927

> <CHARGE>
0

> <SMILES>
O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O

> <INCHI>
InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1

> <INCHIKEY>
LJQLQCAXBUHEAZ-UWTATZPHSA-N

> <CAS_REGISTRY_NUMBER>
38168-82-0

> <KEGG_COMPOUND_ACCESSION>
C00236

> <KNAPSACK_ACCESSION>
C00019552

> <PDBECHEM_ACCESSION>
X15

$$$$