Marvin  03180623152D          

  4  3  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:15740

> <NAME>
formate

> <DEFINITION>
A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14276; CHEBI:24081

> <SYNONYM>
methanoate; hydrogen carboxylate; HCO2 anion; formylate; formic acid, ion(1-); formiate; formate; aminate

> <IUPAC_NAME>
formate

> <FORMULA>
CHO2

> <MASS>
45.01744

> <MONOISOTOPIC_MASS>
44.99820

> <CHARGE>
-1

> <SMILES>
[H]C([O-])=O

> <INCHI>
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1

> <INCHIKEY>
BDAGIHXWWSANSR-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
1901205

> <CAS_REGISTRY_NUMBER>
71-47-6

> <GMELIN_REGISTRY_NUMBER>
1006

> <REAXYS_REGISTRY_NUMBER>
1901205

> <CHEMIDPLUS>
71-47-6

> <KEGG_COMPOUND_ACCESSION>
C00058

> <METACYC_ACCESSION>
FORMATE

> <NIST_CHEMISTRY_WEBBOOK>
71-47-6

> <WIKIPEDIA_ACCESSION>
Formate

> <PUBMED_CITATION>
17190852; 3946945

$$$$