Ontology mapping
- Primary identifier
-
CHEBI:16109 - Ontology label
- propane-1,3-diol
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Trimethyleneglycol | RAW_TEXT | microbedecoder |
Chemical properties
- Cas rn
- 504-63-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C3H8O2
- Inchi
- InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
- Smiles
- OCCCO
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=504-63-2; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:31.680707+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:27.477994+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C3H8O2; inchi=InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2; smiles=OCCCO | |
| 2026-05-02T03:12:11.788523+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-05T02:38:57.872251+00:00 | edison-residual-research LLM | MERGED_FROM_UNMAPPED_DUPLICATE | Absorbed UNMAPPED_0775 'Trimethyleneglycol' as a RAW_TEXT synonym -- trimethylene glycol is the traditional name for propane-1,3-diol. No new SSSOM row; CHEBI:16109 is already mapped. Source: kgmicrobe.compound:trimethyleneglycol. | |
| 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 'propane-1,3-diol'; it matches the ChEBI synonym '1,3-Propanediol' on CHEBI:16109. 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). | |
| 2026-08-24T00:00:00+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 504-63-2 uniquely resolves by ChEBI xref to CHEBI:16109 'propane-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. |