Isoniazid

CHEBI:6030 chemically defined MAPPED CHEBI CAS_RN_LOOKUP

Ontology mapping

Primary identifier
CHEBI:6030
Ontology label
isoniazide

Synonyms (1)

SynonymTypeSourceOccurrences
pyridine-4-carbohydrazide EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
54-85-3
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:34:31.158938+00:00
Molecular formula
C6H7N3O
Inchi
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Smiles
NNC(=O)c1ccncc1

Evidence (1)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80Anti.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=54-85-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80Anti.
2026-05-01T07:35:34.102146+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.094748+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C6H7N3O; inchi=InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2; smiles=NNC(=O)c1ccncc1
2026-05-02T03:12:15.166893+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-24T00:00:00+00:00 regrade_synonym_matches REGRADED_TO_CAS_RN_LOOKUP mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 54-85-3 uniquely resolves by ChEBI xref to CHEBI:6030 'isoniazide'. CAS_RN_LOOKUP records the method that established this mapping; a lexical grade would discard that provenance. ontology_id is unchanged. The own-identifier SSSOM predicate remains skos:exactMatch under Rule D (#438), independently of mapping quality.