Ontology mapping
- Primary identifier
-
CHEBI:52683 - Ontology label
- butane-1,3-diol
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 1,3-Butandiol | RAW_TEXT | pre-correction label |
Chemical properties
- Cas rn
- 107-88-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C4H10O2
- Inchi
- InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
- Smiles
- CC(O)CCO
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=107-88-0; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:31.676590+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.473940+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C4H10O2; inchi=InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3; smiles=CC(O)CCO | |
| 2026-05-02T03:12:11.782672+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-1,3-diol'; it matches the ChEBI synonym '1,3-Butandiol' on CHEBI:52683. 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). | |
| 2026-08-18T00:00:00+00:00 | correct_labels_keep_raw | CORRECTED_PREFERRED_TERM | Corrected preferred_term '1,3-Butandiol' -> '1,3-Butanediol'. 'Butandiol' is the German spelling. CHEBI:52683 lists BOTH '1,3-Butandiol' and '1,3-Butanediol' as synonyms, so the English form is the ontology's own and no identity changes. The record stays on CHEBI:52683 and its CAS lookup (107-88-0) is unaffected. The original is kept as a RAW_TEXT synonym so any source string still resolves. Applied under the rule agreed for #396: MIM's subject_label became the KG's canonical name for the mapped ontology term when kg-microbe made MIM the naming authority, so a damaged or source-language label is published as that term's name. Correct the label; keep the raw one. | |
| 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 107-88-0 uniquely resolves by ChEBI xref to CHEBI:52683 'butane-1,3-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. |