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CHEBI:754552 - isoniazid glucuronate

Default Structure
ChEBI IDCHEBI:754552
ChEBI Nameisoniazid glucuronate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC12H15N3O7
Net Charge0
Average Mass313.266
Monoisotopic Mass313.09100
SMILESO=C(N/N=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1
InChIInChI=1S/C12H15N3O7/c16-7(8(17)9(18)10(19)12(21)22)5-14-15-11(20)6-1-3-13-4-2-6/h1-5,7-10,16-19H,(H,15,20)(H,21,22)/b14-5+/t7-,8+,9-,10-/m0/s1
InChIKeyWREFPPXAWHSISP-PBJGZRIOSA-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 glucuronate (CHEBI:754552) is a aromatic carboxylic acid (CHEBI:33859)
isoniazid glucuronate (CHEBI:754552) is a pyridinemonocarboxylic acid (CHEBI:26420)