HHA

(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID

Created: 2004-08-17
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count2
Bond Count20
Aromatic Bond Count0
2D diagram of HHA
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Chemical Component Summary

Name(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID
Systematic Name (OpenEye OEToolkits)(5S,6S)-6-amino-5-hydroxy-cyclohexa-1,3-diene-1-carboxylic acid
FormulaC7 H9 N O3
Molecular Weight155.151
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C1=CC=CC(O)C1N
SMILESCACTVS3.341N[CH]1[CH](O)C=CC=C1C(O)=O
SMILESOpenEye OEToolkits1.5.0C1=CC(C(C(=C1)C(=O)O)N)O
Canonical SMILESCACTVS3.341 N[C@@H]1[C@@H](O)C=CC=C1C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O
InChIInChI1.03 InChI=1S/C7H9NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,5-6,9H,8H2,(H,10,11)/t5-,6-/m0/s1
InChIKeyInChI1.03 XBTXTLKLSHACSS-WDSKDSINSA-N

Drug Info: DrugBank

DrugBank IDDB02124 
Name(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid
Groups experimental
Synonyms(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid

Drug Targets

NameTarget SequencePharmacological ActionActions
Trans-2,3-dihydro-3-hydroxyanthranilate isomeraseMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVL...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

Related Resource References

Resource NameReference
PubChem 448825, 49852385
ChEMBL CHEMBL1233316
ChEBI CHEBI:60844, CHEBI:60849