ASF

3-(BUTYLSULPHONYL)-PROPANOIC ACID

Created:	2007-10-24
Last modified:	2011-06-04

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1 entries where ASF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	0

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Chemical Component Summary
Name	3-(BUTYLSULPHONYL)-PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	3-butylsulfonylpropanoic acid
Formula	C₇ H₁₄ O₄ S
Molecular Weight	194.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(CCC(=O)O)CCCC
SMILES	CACTVS	3.341	CCCC[S](=O)(=O)CCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCS(=O)(=O)CCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCC[S](=O)(=O)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCS(=O)(=O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C7H14O4S/c1-2-3-5-12(10,11)6-4-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey	InChI	1.03	GSHVAQAKBLEIEY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07387
Name	3-(BUTYLSULPHONYL)-PROPANOIC ACID
Groups	experimental
Synonyms	3-(BUTYLSULPHONYL)-PROPANOIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Triosephosphate isomerase	MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...	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