Ontology mapping
- Primary identifier
-
cas:10237-77-1 - Ontology term
-
CHEBI:139272— 3-hydroxypentanoic acid - Ontology label
- 3-hydroxypentanoic acid
Chemical properties
- Data source
- CultureBotHT compounds_to_cas.csv; PubChem CID 107802
- Retrieval date
- 2026-09-12T00:00:00+00:00
- Molecular formula
- C5H10O3
- Cas rn
- 10237-77-1
- Pubchem cid
- 107802
- Inchi
- InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
- Smiles
- CCC(O)CC(=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SUPERSEDED (#456): the CAS-selected ChEBI term denotes a different stereochemical form.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 a racemate, while CHEBI:139272 is stereo-unspecified and has separate R and S children. No exact local ChEBI term denotes the racemate. Per MAPPING_SEMANTICS.md Section 3, the record now uses cas:10237-77-1 as the exact registry identity plus a narrowMatch to CHEBI:139272.
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=10237-77-1; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:36.029271+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.122368+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C5H10O3; inchi=InChI=1S/C5H10O3/c1-2-4(6)3-5(7)8/h4,6H,2-3H2,1H3,; smiles=CCC(O)CC(=O)O | |
| 2026-05-02T03:12:18.062888+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:139272 -> cas:10237-77-1; ontology mapping set to NARROW_MATCH CHEBI:139272 ('3-hydroxypentanoic acid'). Replaced target-derived chemistry and marked 0 inherited ChEBI synonym(s) as REJECTED_LABEL (#456). |