OXQ

4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID

Created:	2004-04-23
Last modified:	2011-06-04

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4 entries where OXQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	0
Bond Count	11
Aromatic Bond Count	5

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Chemical Component Summary
Name	4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Formula	C₃ H₂ N₂ O₄
Molecular Weight	130.059
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1nonc1O
SMILES	CACTVS	3.341	OC(=O)c1nonc1O
SMILES	OpenEye OEToolkits	1.5.0	c1(c(non1)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)c1nonc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1(c(non1)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C3H2N2O4/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKey	InChI	1.03	IBRWUZLLHSXPKL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02401
Name	4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Groups	experimental
Synonyms	4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Categories	Oxazoles
CAS number	66313-36-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
L-lactate dehydrogenase	MAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSH...	unknown
L-lactate dehydrogenase B chain	MATLKEKLIAPVAEEEATVPNNKITVVGVGQVGMACAISILGKSLADELA...	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