Ontology mapping
- Primary identifier
-
cas:76924-95-3 - Ontology term
-
CHEBI:29640— N-(3-oxohexanoyl)homoserine lactone - Ontology label
- N-(3-oxohexanoyl)homoserine lactone
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| 3-oxo-N-(2-oxotetrahydrofuran-3-yl)hexanamide | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Data source
- CultureBotHT compounds_to_cas.csv; PubChem CID 119133
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C10H15NO4
- Cas rn
- 76924-95-3
- Pubchem cid
- 119133
- Inchi
- InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)
- Smiles
- CCCC(=O)CC(=O)NC1CCOC1=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SUPERSEDED (#456): the CAS-selected ChEBI term denotes a different stereochemical form.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 homoserine lactone, while CHEBI:29640 is stereo-unspecified and has a separate L child. No exact local ChEBI term denotes the racemate. Per MAPPING_SEMANTICS.md Section 3, the record now uses cas:76924-95-3 as the exact registry identity plus a narrowMatch to CHEBI:29640.
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=76924-95-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:34.918518+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:30.967118+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C10H15NO4; inchi=InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-; smiles=CCCC(=O)CC(=O)NC1CCOC1=O | |
| 2026-05-02T03:12:16.674706+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-09-12T00:00:00+00:00 | fix_cas_stereochemical_identity_conflicts | REGROUNDED_STEREOCHEMICAL_FORM | MAPPED | identifier CHEBI:29640 -> cas:76924-95-3; ontology mapping set to NARROW_MATCH CHEBI:29640 ('N-(3-oxohexanoyl)homoserine lactone'). Replaced target-derived chemistry and marked 1 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |