Marvin  07151011582D          

  7  6  0  0  0  0            999 V2000
   14.0807   -9.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6517   -9.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3662   -8.2794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9371   -9.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2226   -9.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3662   -9.1043    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.3662   -9.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  3  2  0  0  0  0
  6  7  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  2  1  0  0  0  0
  6  1  1  0  0  0  0
M  END
> <ID>
CHEBI:42383

> <NAME>
ethyl dihydrogen phosphate

> <DEFINITION>
A monoalkyl phosphate epitope having ethyl as the alkyl group.

> <STAR>
3

> <SYNONYM>
Phosphoric acid monoethyl ester; O-Ethyl dihydrogen phosphate; Monoethyl phosphate; Monoethyl acid phosphate; MEP

> <IUPAC_NAME>
ethyl dihydrogen phosphate

> <FORMULA>
C2H7O4P

> <MASS>
126.04830

> <MONOISOTOPIC_MASS>
126.00820

> <CHARGE>
0

> <SMILES>
CCOP(O)(O)=O

> <INCHI>
InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)

> <INCHIKEY>
ZJXZSIYSNXKHEA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1623-14-9

> <GMELIN_REGISTRY_NUMBER>
141977

> <REAXYS_REGISTRY_NUMBER>
1702252

> <CHEMIDPLUS>
1623-14-9

> <DRUGBANK_ACCESSION>
DB03822

> <PDBECHEM_ACCESSION>
EFS

> <PUBMED_CITATION>
7584140

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