CHEBI:80619 - Isoniazid alpha-ketoglutaric acid

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ChEBI Name Isoniazid alpha-ketoglutaric acid
ChEBI ID CHEBI:80619
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C11H11N3O5
Net Charge 0
Average Mass 265.22210
Monoisotopic Mass 265.06987
InChI InChI=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+
InChIKey CCBSJXHUMYNUKH-MDWZMJQESA-N
SMILES OC(=O)CC\C(C(O)=O)=N/NC(=O)c1ccncc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Isoniazid alpha-ketoglutaric acid (CHEBI:80619) is a dicarboxylic acid (CHEBI:35692)
Manual Xrefs Databases
C16625 KEGG COMPOUND
HMDB0060663 HMDB
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Registry Number Type Source
1152-31-4 CAS Registry Number KEGG COMPOUND
Last Modified
26 March 2015