Marvin  12240722582D          

  4  3  0  0  0  0            999 V2000
   12.9717  -12.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6862  -12.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4006  -12.9376    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.6862  -11.7001    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:30089

> <NAME>
acetate

> <DEFINITION>
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40480; CHEBI:13704; CHEBI:22165

> <SYNONYM>
MeCO2 anion; ethanoate; Ethanoat; CH3-COO(-); Azetat; acetic acid, ion(1-); ACETATE ION; acetate

> <IUPAC_NAME>
acetate

> <FORMULA>
C2H3O2

> <MASS>
59.04402

> <MONOISOTOPIC_MASS>
59.01385

> <CHARGE>
-1

> <SMILES>
CC([O-])=O

> <INCHI>
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

> <INCHIKEY>
QTBSBXVTEAMEQO-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
1901470

> <CAS_REGISTRY_NUMBER>
71-50-1

> <GMELIN_REGISTRY_NUMBER>
1379

> <REAXYS_REGISTRY_NUMBER>
1901470

> <CHEMIDPLUS>
71-50-1

> <DRUGBANK_ACCESSION>
DB03166

> <KEGG_COMPOUND_ACCESSION>
C00033

> <METACYC_ACCESSION>
ACET

> <NIST_CHEMISTRY_WEBBOOK>
71-50-1

> <PDBECHEM_ACCESSION>
ACT

> <WIKIPEDIA_ACCESSION>
Acetate

> <PUBMED_CITATION>
17190852; 22211106; 22371380

$$$$