KMT

4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID

Created:	2003-10-20
Last modified:	2011-06-04

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6 entries where KMT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

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Chemical Component Summary
Name	4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	4-methylsulfanyl-2-oxo-butanoic acid
Formula	C₅ H₈ O₃ S
Molecular Weight	148.18
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)CCSC
SMILES	CACTVS	3.341	CSCCC(=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CSCCC(=O)C(=O)O
Canonical SMILES	CACTVS	3.341	CSCCC(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CSCCC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	InChI	1.03	SXFSQZDSUWACKX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02238
Name	4-methylthio-2-oxobutanoic acid
Groups	experimental
Synonyms	2-Oxo-4-thiomethylbutyric acid gamma-Methiol-keto-butyric acid 4-methylthio-2-oxobutanoic acid alpha-Ketomethionine S-Methyl-alpha-ketobutyric acid alpha-Keto-gamma-methiolbutyrate 2-Keto-4-methylthiobutyric acid 4-Methylthio-2-ketobutyric acid 4-Methylmercapto-2-oxobutyrate
Categories	Amino Acids Amino Acids, Neutral Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Sulfur Compounds
CAS number	583-92-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aminotransferase	MRLHPRTEAAKESIFPRMSGLAQRLGAVNLGQGFPSNPPPPFLLEAVRRA...	unknown

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