Ontology mapping
- Primary identifier
-
cas:1115-63-5 - Ontology term
-
CHEBI:17053— L-aspartic acid - Ontology label
- L-aspartic acid
Nutritional roles
- Role
- AMINO_ACID_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 (2)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| (2S)-2-aminobutanedioic acid | REJECTED_LABEL | chebi_synonym_review | |
| ASPARTIC ACID | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 1115-63-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C4H6KNO4
- Smiles
- C(C(C(=O)[O-])N)C(=O)O.[K+]
- Inchi
- InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1/t2-;/m0./s1
- Pubchem cid
- 23672742
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 1115-63-5 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 2 CultureBot media; samples: MOPS Rich Defined media noCarbon, MOPS Rich Defined media_noCarbon. 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='L-Aspartic acid potassium salt'
Occurrence statistics
- Total occurrences
- 1
- Distinct media
- 1
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:1115-63-5 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:34.247594+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:53:38.016610+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C4H6KNO4; smiles=C(C(C(=O)[O-])N)C(=O)O.[K+]; inchi=InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,( | |
| 2026-05-02T03:12:15.366082+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T04:50:41.065560+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:17053 (stem-substring) | |
| 2026-06-03T02:06:01.743033+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: AMINO_ACID_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): AMINO_ACID_SOURCE -> nutritional_roles.AMINO_ACID_SOURCE | |
| 2026-08-27T03:16:39.519096+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 2/2 -> 1/1 (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] | |
| 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): '(2S)-2-aminobutanedioic acid'; 'ASPARTIC ACID'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated. |