Mrv0541 06091414322D          

  7  5  0  0  0  0            999 V2000
   13.5321  -15.4582    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.2653  -14.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798  -13.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6942  -14.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4087  -13.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1232  -14.2213    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.4087  -12.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <ID>
CHEBI:64103

> <NAME>
sodium butyrate

> <DEFINITION>
An organic sodium salt resulting from the replacement of the proton from the carboxy group of butyric acid by a sodium ion.

> <STAR>
3

> <SYNONYM>
Sodium propanecarboxylate; Sodium n-butyrate; Butyric acid, sodium salt; Butyric acid sodium salt; Butyrate sodium; Butanoic acid, sodium salt (1:1); Butanoic acid, sodium salt

> <IUPAC_NAME>
sodium butanoate

> <FORMULA>
C4H7NaO2

> <MASS>
110.08690

> <MONOISOTOPIC_MASS>
110.03437

> <CHARGE>
0

> <SMILES>
[Na+].CCCC([O-])=O

> <INCHI>
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1

> <INCHIKEY>
MFBOGIVSZKQAPD-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
156-54-7

> <REAXYS_REGISTRY_NUMBER>
3629439

> <CHEMIDPLUS>
156-54-7

> <DRUGBANK_ACCESSION>
DBSALT002877

> <KEGG_DRUG_ACCESSION>
D08998

> <NIST_CHEMISTRY_WEBBOOK>
156-54-7

> <WIKIPEDIA_ACCESSION>
Sodium_butyrate

> <PUBMED_CITATION>
12840228; 21593570; 21699495; 21947091; 21984169; 22024383; 22067609; 22160140; 22228088; 22246241; 22253909; 22273669; 22288569; 22293191; 22338096; 22353286; 22381755; 24003736

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