ALQ

2-METHYL-PROPIONIC ACID

Created:	2000-08-25
Last modified:	2024-09-27

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2 entries where ALQ is found as a standalone ligand10 entries where ALQ is found in a polymer sequence

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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	2-METHYL-PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	2-methylpropanoic acid
Formula	C₄ H₈ O₂
Molecular Weight	88.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(C)C
SMILES	CACTVS	3.370	CC(C)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)C(=O)O
Canonical SMILES	CACTVS	3.370	CC(C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)C(=O)O
InChI	InChI	1.03	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey	InChI	1.03	KQNPFQTWMSNSAP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02531
Name	Isobutyric acid
Groups	experimental
Synonyms	2-methyl-propionic acid Isobutanoate 2-Methylpropanoic acid α-methylpropionic acid Isobutyrate α-isobutyric acid 2-Methylpropionsäure Isobutyric acid 2-Methylpropanoate Isopropylformic acid Isobuttersäure iso-butyric acid 2,2-dimethylacetic acid α-methylpropanoic acid Dimethylacetic acid
Categories	Acids, Acyclic Butyrates Fatty Acids Fatty Acids, Volatile Lipids
CAS number	79-31-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	MANLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPA...	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