Marvin  12090517092D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.8249    0.0000 O   0  0  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
    0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  2  0  0  0  0
  1  5  1  0  0  0  0
  4  1  1  0  0  0  0
M  CHG  2   4  -1   5  -1
M  END
> <ID>
CHEBI:16189

> <NAME>
sulfate

> <DEFINITION>
A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45687; CHEBI:9335; CHEBI:15135

> <SYNONYM>
sulphate ion; sulphate; Sulfuric acid ion(2-); Sulfate(2-); SULFATE ION; Sulfate dianion; Sulfate anion(2-); sulfate; Sulfate; SO4(2-); [SO4](2-)

> <IUPAC_NAME>
tetraoxosulfate(VI); tetraoxosulfate(2-); tetraoxidosulfate(2-); sulfate

> <FORMULA>
O4S

> <MASS>
96.06360

> <MONOISOTOPIC_MASS>
95.95283

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2

> <INCHIKEY>
QAOWNCQODCNURD-UHFFFAOYSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
3648446

> <CAS_REGISTRY_NUMBER>
14808-79-8

> <GMELIN_REGISTRY_NUMBER>
2120

> <REAXYS_REGISTRY_NUMBER>
3648446

> <CHEMIDPLUS>
14808-79-8

> <KEGG_COMPOUND_ACCESSION>
C00059

> <KEGG_DRUG_ACCESSION>
D05963

> <METACYC_ACCESSION>
SULFATE

> <NIST_CHEMISTRY_WEBBOOK>
14808-79-8

> <PDBECHEM_ACCESSION>
SO4

> <WIKIPEDIA_ACCESSION>
Sulfate

> <PUBMED_CITATION>
11200094; 11452993; 11581495; 11798107; 12166931; 12668033; 14597181; 15093386; 15984785; 16186560; 16345535; 16347366; 16348007; 16483812; 16534979; 16656509; 16742508; 16742518; 17120760; 17420092; 17439666; 17709180; 18398178; 18815700; 18846414; 19047345; 19244483; 19544990; 19628332; 19812358; 30398859

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