Ontology mapping
- Primary identifier
-
cas:2835-81-6 - Ontology term
-
CHEBI:35621— alpha-aminobutyric acid - Ontology label
- alpha-aminobutyric acid
Nutritional roles
- Role
- AMINO_ACID_SOURCE
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from CHEBI ancestry: subclass/has_role of CHEBI:33709 (amino acid)
- Curator note
- Provisional role inferred from CHEBI is_a/has_role closure; 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 |
|---|---|---|---|
| 2-aminobutanoic acid | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Data source
- CultureBotHT compounds_to_cas.csv; ChEBI:35621
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C4H9NO2
- Cas rn
- 2835-81-6
- Inchi
- InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
- Smiles
- CCC(N)C(=O)O
Evidence (2)
DATABASE_MATCH
via CultureBotHT
SUPERSEDED (#456): the CAS-selected ChEBI term denotes a different stereochemical form. Original note follows. Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
CURATOR_JUDGMENT
via MIM curation (#456)
The CultureBotHT label and CAS-RN name the DL/racemic form, while CHEBI:35621 is stereo-unspecified and has separate D and L children. No exact local ChEBI term denotes the racemate. Per MAPPING_SEMANTICS.md Section 3, the record now uses cas:2835-81-6 as the exact registry identity plus a narrowMatch to CHEBI:35621.
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=2835-81-6; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:33.176468+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.109678+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C4H9NO2; inchi=InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6; smiles=CCC(N)C(=O)O | |
| 2026-05-02T03:12:13.897203+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-30T00:34:39.371338+00:00 | infer_roles_from_chebi_ancestry | ANNOTATED | Added media role: AMINO_ACID_SOURCE (confidence: 0.70) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): AMINO_ACID_SOURCE -> nutritional_roles.AMINO_ACID_SOURCE | |
| 2026-09-12T00:00:00+00:00 | fix_cas_stereochemical_identity_conflicts | REGROUNDED_STEREOCHEMICAL_FORM | MAPPED | identifier CHEBI:35621 -> cas:2835-81-6; ontology mapping set to NARROW_MATCH CHEBI:35621 ('alpha-aminobutyric acid'). Replaced target-derived chemistry and marked 1 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |