Molecular Identity
butyrate
butanoate
PubChem CID: 104775
Butyrate is a short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. It has a role as a metabolite, an EC 3.5.1.98 (histone deacetylase) inhibitor and a human metabolite. It is a conjugate base of a butyric acid.
2D Structure
Properties
C4H7O2-
Molecular Formula
87.10
Molecular Weight
g/mol
87.0446
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
40.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
44
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
butyratebutanoateButyratesn-butanoateButanoic acid, ion(1-)butanate461-55-21-butanoatepropanecarboxylate1-butyrate1-propanecarboxylateDTXSID8040432CHEBI:17968n ButyrateRefChem:917761
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to butyrate
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