Ontology mapping
- Primary identifier
-
cas:1040352-40-6 - Ontology term
-
CHEBI:27469— 2-dehydro-D-gluconic acid - Ontology label
- 2-dehydro-D-gluconic acid
Nutritional roles
- Role
- CARBON_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.
- Role
- ENERGY_SOURCE
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Canonical energy substrate (catabolised for energy)
- Curator note
- Provisional ENERGY_SOURCE added alongside CARBON_SOURCE; review recommended.
Chemical properties
- Cas rn
- 1040352-40-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
Evidence (3)
Imported from CultureBotHT. CAS-RN 1040352-40-6 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.
2-Keto-D-gluconic acid hemicalcium salt hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:27469 '2-dehydro-D-gluconic acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. hemicalcium salt hydrate of 2-dehydro-D-gluconic acid
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:27469 ('2-dehydro-D-gluconic acid') — a subsumption ChEBI itself denies: it files hydrates under CHEBI:35505 'hydrate', never under the anhydrous compound, which is not an ancestor even transitively. A hydrate is a distinct substance containing the anhydrous form, not a specialization of it. closeMatch claims similarity without subsumption. The ontology_id and the record's own identifier are unchanged.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
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:1040352-40-6 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:31.736263+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T03:12:11.858997+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-06-03T03:22:14.577913+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CARBON_SOURCE (confidence: 0.80) | |
| 2026-06-04T05:38:59.199997+00:00 | infer_energy_source | ANNOTATED | Added media role: ENERGY_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): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE; ENERGY_SOURCE -> nutritional_roles.ENERGY_SOURCE | |
| 2026-08-05T18:02:35.008352+00:00 | anchor_cas_hydrate_records LLM | CORRECTED | Added Section 3 anchor rows: narrowMatch CHEBI:27469 '2-dehydro-D-gluconic acid' and registry kgmicrobe.compound:2-keto-d-gluconic_acid_hemicalcium_salt_hydrate. identifier cas:1040352-40-6 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. hemicalcium salt hydrate of 2-dehydro-D-gluconic acid | |
| 2026-08-13T00:00:00+00:00 | regrade_hydrate_to_close_match | REGRADED_HYDRATE_TO_CLOSE_MATCH | mapping_quality NARROW_MATCH -> CLOSE_MATCH (#342); a hydrate is not subsumed by its anhydrous form, and ChEBI does not model it as such. |