Ontology mapping
- Primary identifier
-
CHEBI:161680 - Ontology label
- aztreonam
Physicochemical roles
- Role
- SELECTIVE_AGENT
- Confidence
- 0.8
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from curated media-role name pattern
- Curator note
- Provisional role from a curated name-pattern rule; review recommended.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| (2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 78110-38-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C13H17N5O8S2
- Inchi
- InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
- Smiles
- C[C@H]1[C@H](NC(=O)/C(=NOC(C)(C)C(=O)O)c2csc([NH3+])n2)C(=O)N1S(=O)(=O)[O-]
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=78110-38-0); Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals. |
| 2026-05-01T07:35:32.307343+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.123585+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C13H17N5O8S2; inchi=InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)2; smiles=C[C@H]1[C@H](NC(=O)/C(=NOC(C)(C)C(=O)O)c2csc([NH3+ | |
| 2026-05-02T03:12:12.652781+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-02T07:05:13.386474+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: SELECTIVE_AGENT (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): SELECTIVE_AGENT -> physicochemical_roles.SELECTIVE_AGENT |