Ontology mapping
- Primary identifier
-
CHEBI:41189 - Ontology label
- butane-1,4-diol
Synonyms (3)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Butane-1,4-diol | RAW_TEXT | MERGED_FROM_CHEBI:41189 (#308/#370) | |
| Butane-1 | RAW_TEXT | MERGED_FROM_CHEBI:41189 (#308/#370) | |
| 4-diol | RAW_TEXT | MERGED_FROM_CHEBI:41189 (#308/#370) |
Chemical properties
- Cas rn
- 110-63-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C4H10O2
- Inchi
- InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
- Smiles
- OCCCCO
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=110-63-4; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:31.685168+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.482087+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C4H10O2; inchi=InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2; smiles=OCCCCO | |
| 2026-05-02T03:12:11.794500+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-10T00:00:00+00:00 | regrade_synonym_matches | REGRADED_EXACT_TO_SYNONYM | mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label 'butane-1,4-diol'; it matches the ChEBI synonym '1,4-BUTANEDIOL' on CHEBI:41189. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch). | |
| 2026-08-15T00:00:00+00:00 | fix_butanediol_duplicate | MERGED_FROM | Absorbed 'Butane-1,4-diol'. `Butane-1,4-diol` was created by the #308 comma-split repair, which rejoined the fragments `Butane-1` and `4-diol` and grounded them to CHEBI:41189 — without checking whether MIM already held that term. It did: `1,4-Butanediol`. So the repair produced a second live record for one compound, which is the duplicate-shadowing defect this session has been fixing elsewhere (#334/#347). Merged into the pre-existing record; the two fragment labels are kept as RAW_TEXT synonyms so the comma-split provenance survives. | |
| 2026-08-24T00:00:00+00:00 | regrade_synonym_matches | REGRADED_TO_CAS_RN_LOOKUP | mapping_quality SYNONYM_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 110-63-4 uniquely resolves by ChEBI xref to CHEBI:41189 'butane-1,4-diol'. 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. |