Ketcher 06162116392D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
   13.7304  -12.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8633  -12.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5934  -12.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7345  -11.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0044  -12.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4606  -12.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3243  -12.7514    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.1926  -12.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3197  -13.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5891  -11.7822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  7  9  2  0     0  0
  7 10  1  0     0  0
M  END
> <ID>
CHEBI:16108

> <NAME>
dihydroxyacetone phosphate

> <DEFINITION>
A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39571; CHEBI:5454; CHEBI:14342; CHEBI:14341; CHEBI:24355

> <SYNONYM>
Glycerone phosphate; glycerone monophosphate; Dihydroxyacetone phosphate; Dihydroxyacetone monophosphate; dihydroxyacetone 3-phosphate; DHAP; 3-hydroxy-2-oxopropyl phosphate; 2-Propanone, 1-hydroxy-3-(phosphonooxy)-; 1-hydroxy-3-(phosphonooxy)acetone; 1-hydroxy-3-(phosphonooxy)-2-Propanone; 1,3-Dihydroxyacetone 1-phosphate; 1,3-Dihydroxy-2-propanone phosphate; 1,3-Dihydroxy-2-propanone monodihydrogen phosphate

> <IUPAC_NAME>
3-hydroxy-2-oxopropyl dihydrogen phosphate

> <FORMULA>
C3H7O6P

> <MASS>
170.057

> <MONOISOTOPIC_MASS>
169.99802

> <CHARGE>
0

> <SMILES>
OCC(=O)COP(O)(O)=O

> <INCHI>
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)

> <INCHIKEY>
GNGACRATGGDKBX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1708891

> <CAS_REGISTRY_NUMBER>
57-04-5

> <REAXYS_REGISTRY_NUMBER>
1708891

> <CHEMIDPLUS>
57-04-5

> <DRUGBANK_ACCESSION>
DB04326

> <KEGG_COMPOUND_ACCESSION>
C00111

> <KNAPSACK_ACCESSION>
C00007560

> <METACYC_ACCESSION>
DIHYDROXY-ACETONE-PHOSPHATE

> <PDBECHEM_ACCESSION>
13P

> <WIKIPEDIA_ACCESSION>
Dihydroxyacetone_phosphate

> <PUBMED_CITATION>
10098675; 1332571; 15882454; 20092811; 23857558; 26602120; 29112947; 29593097; 3119940; 31762135; 32719541; 8931639

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