BE2

2-AMINOBENZOIC ACID

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of BE2
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Chemical Component Summary

Name2-AMINOBENZOIC ACID
Systematic Name (OpenEye OEToolkits)2-aminobenzoic acid
FormulaC7 H7 N O2
Molecular Weight137.136
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)c1ccccc1N
SMILESCACTVS3.341Nc1ccccc1C(O)=O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)N
Canonical SMILESCACTVS3.341 Nc1ccccc1C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)C(=O)O)N
InChIInChI1.03 InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyInChI1.03 RWZYAGGXGHYGMB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04166 
NameAnthranilic acid
Groups experimental
Synonyms
  • 2-carboxyaniline
  • o-carboxyaniline
  • o-Aminobenzoic acid
  • 2-Aminobenzoesäure
  • 2-aminobenzoic acid
Categories
  • Acids, Carbocyclic
  • Aminobenzoates
  • Benzene Derivatives
  • Benzoates
  • Central Nervous System Agents
CAS number118-92-3

Drug Targets

NameTarget SequencePharmacological ActionActions
L-amino-acid oxidaseMAPLALHLLVLVPILLSLVASQDWKAERSQDPFEKCMQDPDYEQLLKVVT...unknown
D-amino-acid oxidaseMRVVVIGAGVIGLSTALCIHERYHSVLQPLDIKVYADRFTPLTTTDVAAG...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 3734162, 227
ChEMBL CHEMBL14173
ChEBI CHEBI:30754
CCDC/CSD FEBSIR01, FEBSIR, OCAMUC, IFEGAE, AMBACO10, SORWEB, SIHLUT, AMBACO08, SOJPEM, AMBACO05, AMBACO06, TICYIP03, TICYIP02, SEGFUG, DIDZEX, TICYIP01, DIDZAT, EBONUG, TICYIP, CEKMIQ, AMBACO07, EFUCEP, BAHXIU, PUJBOM, NIMBAM, ACEREH, AMBACO03, RATBET, NINXOZ, AMBACO01, NEWSUE, SUBPIR, AMBACO11, IFEGAE01, EQUVOE
COD 1546490, 7206667, 1546496