Ontology mapping
- Primary identifier
-
cas:590-46-5 - Ontology term
-
CHEBI:17750— glycine betaine - Ontology label
- glycine betaine
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| (trimethylammonio)acetate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 590-46-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C5H12ClNO2
- Smiles
- C[N+](C)(C)CC(=O)[O-]
- Inchi
- InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
- Pubchem cid
- 247
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 590-46-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). 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 247'
Occurrence statistics
- Total occurrences
- 3
- Distinct media
- 3
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:590-46-5 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:32.399235+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:08.265431+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C5H11NO2; smiles=C[N+](C)(C)CC(=O)[O-]; inchi=InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 | |
| 2026-05-02T03:12:12.809182+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:41:49.293459+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:17750 (pubchem-xref) | |
| 2026-08-13T00:00:00+00:00 | fix_parent_inherited_formulas | CORRECTED_INHERITED_FORMULA | molecular_formula 'C5H11NO2' -> 'C5H12ClNO2' (#326). The recorded value was identical to the narrowMatch parent's, so it described the parent rather than this salt/hydrate. Corrected from the record's own CAS 590-46-5, which resolves in PubChem to 'Betaine chloride' — provenance independent of the ChEBI mapping under test, per MAPPING_SEMANTICS §3. The narrowMatch itself is correct and is unchanged. | |
| 2026-08-27T03:16:39.518425+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 0/0 -> 3/3 (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] |