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CHEBI:80619 - Isoniazid alpha-ketoglutaric acid

Default Structure
ChEBI IDCHEBI:80619
ChEBI NameIsoniazid alpha-ketoglutaric acid
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC11H11N3O5
Net Charge0
Average Mass265.225
Monoisotopic Mass265.06987
SMILESO=C(O)CC/C(=N\NC(=O)c1ccncc1)C(=O)O
InChIInChI=1S/C11H11N3O5/c15-9(16)2-1-8(11(18)19)13-14-10(17)7-3-5-12-6-4-7/h3-6H,1-2H2,(H,14,17)(H,15,16)(H,18,19)/b13-8+
InChIKeyCCBSJXHUMYNUKH-MDWZMJQESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isoniazid alpha-ketoglutaric acid (CHEBI:80619) is a dicarboxylic acid (CHEBI:35692)
Manual XrefsDatabases
C16625KEGG COMPOUND
HMDB0060663HMDB
Registry NumbersSources
CAS:1152-31-4KEGG COMPOUND