3HA

3-HYDROXYANTHRANILIC ACID

Created:	2004-08-16
Last modified:	2020-06-05

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11 entries where 3HA is found as a standalone ligand1 entries where 3HA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

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Chemical Component Summary
Name	3-HYDROXYANTHRANILIC ACID
Synonyms	2-AMINO-3-HYDROXYBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	2-amino-3-hydroxy-benzoic acid
Formula	C₇ H₇ N O₃
Molecular Weight	153.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1cccc(O)c1N
SMILES	CACTVS	3.341	Nc1c(O)cccc1C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)O)N)C(=O)O
Canonical SMILES	CACTVS	3.341	Nc1c(O)cccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(c(c(c1)O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKey	InChI	1.03	WJXSWCUQABXPFS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03644
Name	3-hydroxyanthranilic acid
Groups	experimental
Description	An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen.
Synonyms	2-Amino-3-Hydroxybenzoic Acid 3-hydroxyanthranilic acid 2-Amino-3-hydroxy-benzoic acid 3-Oxyanthranilic acid
Categories	Acids, Carbocyclic Aminobenzoates Antioxidants Benzene Derivatives Benzoates Compounds used in a research, industrial, or household setting Free Radical Scavengers Hydroxy Acids Hydroxybenzoates ortho-Aminobenzoates
CAS number	548-93-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trans-2,3-dihydro-3-hydroxyanthranilate isomerase	MHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVL...	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