Ontology mapping
- Primary identifier
-
CHEBI:747127 - Ontology label
- gepotidacin
Chemical properties
- Cas rn
- 1075236-89-3
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C24H28N6O3
- Smiles
- C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)CC4CN5C(=O)C=CC6=C5N4C(=O)C=N6
- Inchi
- InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
- Pubchem cid
- 25101874
Evidence (2)
CAS_RN_CROSS_REFERENCE
via CHEBI dbxref (OAK CHEBI sqlite)
ChEBI ID CHEBI:747127 found via unique CAS-RN→CHEBI dbxref (oio:hasDbXref cas:1075236-89-3); CHEBI label 'gepotidacin' is label-exact with the ingredient.
DATABASE_MATCH
via NCIT via OLS (label-exact)
Prior narrow parent NCIT:C170025 (superseded by exact CHEBI primary); matched_via='Gepotidacin'
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:1075236-89-3 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.767696+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:14.663403+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C24H28N6O3; smiles=C1CC2=CC(=NC=C2OC1)CNC3CCN(CC3)CC4CN5C(=O)C=CC6=C5; inchi=InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(3 | |
| 2026-05-02T03:12:14.674734+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:48:41.570952+00:00 | backfill_parent_terms | BACKFILL_PARENT_NCIT | set ontology_mapping parent=NCIT:C170025 (label-exact) | |
| 2026-07-05T10:06:57.852475+00:00 | cbclaw_chebi_grounding_tier2 | AUTO_GROUND_TO_CHEBI | MAPPED | primary cas:1075236-89-3 → CHEBI:747127 (gepotidacin) via unique CAS-RN→CHEBI dbxref match (skos:exactMatch); prior NCIT:C170025 narrow parent superseded. |