BUA

butanoic acid

Created:	1999-07-08
Last modified:	2024-09-27

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30 entries where BUA is found as a standalone ligand4 entries where BUA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

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Chemical Component Summary
Name	butanoic acid
Systematic Name (OpenEye OEToolkits)	butanoic acid
Formula	C₄ H₈ O₂
Molecular Weight	88.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)O
Canonical SMILES	CACTVS	3.385	CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey	InChI	1.03	FERIUCNNQQJTOY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03568
Name	Butyric Acid
Groups	experimental investigational
Description	A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.
Synonyms	Butyricum acidum Propylformic acid α-keto-γ-methylselenobutyrate 1-propanecarboxylic acid N-butanoic acid Sodium butyrate Butanoic acid Ethylacetic acid N-butyric acid Butyrate Butyric Acid
Brand Names	Sodium Butyrate
Categories	Acids, Acyclic Butyrates Fatty Acids Fatty Acids, Volatile Histamine Agents Lipids Neurotransmitter Agents
CAS number	107-92-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
(S)-2-haloacid dehalogenase	MDYIKGIAFDLYGTLFDVHSVVGRCDEAFPGRGREISALWRQKQLEYTWL...	unknown
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown
2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	MANLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPA...	unknown
Cholinesterase	MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG...	unknown	ligand

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682