Marvin  09250608482D          

  8  7  0  0  0  0            999 V2000
    0.7145    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.0589    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.1270   -0.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:15350

> <NAME>
acetyl dihydrogen phosphate

> <DEFINITION>
An acyl monophosphate in which the acyl group specified is acetyl.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46262; CHEBI:2407

> <SYNONYM>
monoacetyl phosphate; acetylphosphoric acid; ACETYLPHOSPHATE; Acetyl phosphate; acetyl dihydrogen phosphate; acetic acid, monoanhydride with phosphoric acid

> <IUPAC_NAME>
acetic phosphoric monoanhydride; (acetyloxy)phosphonic acid

> <FORMULA>
C2H5O5P

> <MASS>
140.03186

> <MONOISOTOPIC_MASS>
139.98746

> <CHARGE>
0

> <SMILES>
CC(=O)OP(O)(O)=O

> <INCHI>
InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)

> <INCHIKEY>
LIPOUNRJVLNBCD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1764251

> <CAS_REGISTRY_NUMBER>
590-54-5

> <REAXYS_REGISTRY_NUMBER>
1764251

> <CHEMIDPLUS>
590-54-5

> <DRUGBANK_ACCESSION>
DB02897

> <KEGG_COMPOUND_ACCESSION>
C00227

> <KNAPSACK_ACCESSION>
C00019559

> <PDBECHEM_ACCESSION>
UVW

> <PUBMED_CITATION>
18430561; 18863815; 19026742

$$$$