Ontology mapping
- Primary identifier
-
cas:29435-48-1 - Ontology term
-
CHEBI:20067— 3-hydroxybutyric acid - Ontology label
- 3-hydroxybutyric acid
Nutritional roles
- Role
- CARBON_SOURCE
- Confidence
- 0.8
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from curated media-role name pattern
- Curator note
- Provisional role from a curated name-pattern rule; review recommended.
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| 3-hydroxybutanoic acid | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 29435-48-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C12H20O6
- Smiles
- CC(CC=O)OC(=O)CC(C)OC(=O)CC(C)O
- Inchi
- InChI=1S/C12H20O6/c1-8(14)6-11(15)18-10(3)7-12(16)17-9(2)4-5-13/h5,8-10,14H,4,6-7H2,1-3H3
- Pubchem cid
- 71311208
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 29435-48-1 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 OLS (stem-substring)
Parent class identified via stem-substring; matched_via='Poly(3-hydroxybutyric acid)'
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
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:29435-48-1 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.837724+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:33.600913+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C12H20O6; smiles=CC(CC=O)OC(=O)CC(C)OC(=O)CC(C)O; inchi=InChI=1S/C12H20O6/c1-8(14)6-11(15)18-10(3)7-12(16) | |
| 2026-05-02T03:12:17.814098+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:56:10.989868+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:20067 (stem-substring) | |
| 2026-06-03T03:22:14.593670+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CARBON_SOURCE (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE | |
| 2026-09-22T20:41:14.285965+00:00 | claude LLM | REJECTED_PARENT_NAME_SYNONYMS | Retyped names of the parent compound or of a different hydrate as provenance-only REJECTED_LABEL, because this record is a distinct salt, hydrate or tombstone form and the label index resolved the parent's name here (#232): '3-hydroxybutanoic acid'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated. |