Ontology mapping
- Primary identifier
-
cas:542-32-5
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 |
|---|---|---|---|
| (2S)-2-aminohexanedioic acid | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 542-32-5
- Molecular formula
- C6H11NO4
- Smiles
- NC(CCCC(O)=O)C(O)=O
- Inchi
- InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
- Data source
- https://www.sigmaaldrich.com/DE/en/product/sial/52458
- Retrieval date
- 2026-09-21T21:33:25.379198+00:00
Evidence (1)
MANUAL_CURATION
via https://www.sigmaaldrich.com/DE/en/product/sial/52458
Retain the explicitly DL source substance as CAS 542-32-5. Withdraw L-enantiomer CHEBI:37023 and its stereospecific synonym/structure; a racemate is not one enantiomer. CAS registry identity does not imply that a new exact ChEBI search was exhaustive.
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=542-32-5; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:33.174323+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.106996+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C6H11NO4; inchi=InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3; smiles=N[C@@H](CCCC(=O)O)C(=O)O | |
| 2026-05-02T03:12:13.894337+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-30T00:34:39.370625+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 | |
| 2026-09-21T21:33:25.379198+00:00 | mim_semantic_review_20260921 LLM | CORRECTED | MAPPED | Retain the explicitly DL source substance as CAS 542-32-5. Withdraw L-enantiomer CHEBI:37023 and its stereospecific synonym/structure; a racemate is not one enantiomer. CAS registry identity does not imply that a new exact ChEBI search was exhaustive. Evidence: https://www.sigmaaldrich.com/DE/en/product/sial/52458 |