Ontology mapping
- Primary identifier
-
cas:343336-76-5 - Ontology term
-
CHEBI:18394— 6-O-alpha-D-glucopyranosyl-D-fructofuranose - Ontology label
- 6-O-alpha-D-glucopyranosyl-D-fructofuranose
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.
Chemical properties
- Cas rn
- 343336-76-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C12H24O12
- Smiles
- C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O.O
- Inchi
- InChI=1S/C12H22O11.H2O/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5;/h4-11,13-20H,1-3H2;1H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?;/m1./s1
- Pubchem cid
- 52994241
Evidence (3)
Imported from CultureBotHT. CAS-RN 343336-76-5 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.
palatinose hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:18394 '6-O-alpha-D-glucopyranosyl-D-fructofuranose' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. hydrate of palatinose (isomaltulose)
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:18394 ('6-O-alpha-D-glucopyranosyl-D-fructofuranose') — 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:343336-76-5 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.682509+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:20.743493+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C12H24O12; smiles=C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O.O; inchi=InChI=1S/C12H22O11.H2O/c13-1-4-6(15)8(17)9(18)11(2 | |
| 2026-05-02T03:12:17.610062+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-03T02:06:01.746892+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CARBON_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): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE | |
| 2026-08-05T18:02:35.008352+00:00 | anchor_cas_hydrate_records LLM | CORRECTED | Added Section 3 anchor rows: narrowMatch CHEBI:18394 '6-O-alpha-D-glucopyranosyl-D-fructofuranose' and registry kgmicrobe.compound:palatinose_hydrate. identifier cas:343336-76-5 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. hydrate of palatinose (isomaltulose) | |
| 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. |