Ontology mapping
- Primary identifier
-
cas:333-93-7 - Ontology term
-
CHEBI:201718— 1,4-Diaminobutane dihydrochloride - Ontology label
- 1,4-Diaminobutane dihydrochloride
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Putrescine 2 HCl | EXACT_SYNONYM | unmapped_duplicate_review_2026_05_11 | |
| butane-1,4-diamine;dihydrochloride | EXACT_SYNONYM | chebi_synonym_review |
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| Putrescine | REJECTED_LABEL | culturebotht |
Chemical properties
- Cas rn
- 333-93-7
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C4H14Cl2N2
- Smiles
- C(CCN)CN.Cl.Cl
- Inchi
- InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H
- Pubchem cid
- 9532
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 333-93-7 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: FEBA_carbon, FEBA_nitrogen. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via CHEBI via PubChem (pubchem-xref)
Parent class identified via pubchem-xref; matched_via='pubchem CID 9532'
Occurrence statistics
- Total occurrences
- 2
- Distinct media
- 2
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:333-93-7 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.948051+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:49.295510+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C4H14Cl2N2; smiles=C(CCN)CN.Cl.Cl; inchi=InChI=1S/C4H12N2.2ClH/c5-3-1-2-4-6;;/h1-6H2;2*1H | |
| 2026-05-02T03:12:17.960675+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:58:10.369776+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:201718 (pubchem-xref) | |
| 2026-05-11T08:16:00Z | mediaingredientmech-agentic-curation LLM | ABSORBED_UNMAPPED_DUPLICATE | MAPPED | Absorbed duplicate unmapped record Putrescine_2_HCl.yaml (UNMAPPED_0502); "Putrescine 2 HCl" is the local source spelling for putrescine dihydrochloride with matching mapped CAS 333-93-7. |
| 2026-08-27T03:16:39.519761+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 0/0 -> 2/2 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] | |
| 2026-09-24T07:48:22.703216+00:00 | claude LLM | REJECTED_WRONG_SUBSTANCE_SYNONYMS | MAPPED | Retyped REJECTED_LABEL: 'Putrescine' (EXACT_SYNONYM): the free base's name on the dihydrochloride salt (Section 3: salts are not the parent) (#669). Kept as provenance only; it must not resolve, be exported, or enter the SSSOM other column. |