KPL

KETOPANTOATE

Created:	2002-07-15
Last modified:	2020-06-05

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3 entries where KPL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

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Chemical Component Summary
Name	KETOPANTOATE
Synonyms	2-DEHYDROPANTOATE
Systematic Name (OpenEye OEToolkits)	4-hydroxy-3,3-dimethyl-2-oxo-butanoic acid
Formula	C₆ H₁₀ O₄
Molecular Weight	146.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(=O)C(C)(C)CO
SMILES	CACTVS	3.341	CC(C)(CO)C(=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(CO)C(=O)C(=O)O
Canonical SMILES	CACTVS	3.341	CC(C)(CO)C(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(CO)C(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKey	InChI	1.03	PKVVTUWHANFMQC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03795
Name	2-Dehydropantoate
Groups	experimental
Synonyms	2-Dehydropantoate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-methyl-2-oxobutanoate hydroxymethyltransferase	MKPTTISLLQKYKQEKKRFATITAYDYSFAKLFADEGLNVMLVGDSLGMT...	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