Ontology mapping
- Primary identifier
-
kgmicrobe.compound:dl-isocitric_acid_trisodium_salt_hydrate - Ontology term
-
CHEBI:172950— Isocitric acid, DL- - Ontology label
- Isocitric acid, DL-
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.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| trisodium;1-hydroxypropane-1,2,3-tricarboxylate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 1637-73-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C6H5O7.3Na
- Inchi
- InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
- Smiles
- O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Na+].[Na+].[Na+]
Evidence (3)
Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
identifier CHEBI:172950 -> kgmicrobe.compound:dl-isocitric_acid_trisodium_salt_hydrate; mapping_quality EXACT_MATCH -> NARROW_MATCH. The record is a hydrate of CHEBI:172950 ('Isocitric acid, DL-') and was sharing that term's identifier — the identity collapse MAPPING_SEMANTICS §3 forbids, which made a distinct substance indistinguishable from its anhydrous parent downstream. ChEBI has no term for this hydrate and the record carries no verified CAS, so steps 1 and 2 are unavailable and step 3 applies.
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:172950 ('Isocitric acid, DL-') — 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 |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=1637-73-6; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:33.188987+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.121543+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C6H5O7.3Na; inchi=InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13; smiles=O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-].[Na+].[Na+].[N | |
| 2026-05-02T03:12:13.914941+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-03T03:22:14.585348+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 | |
| 2026-08-13T00:00:00+00:00 | mint_hydrate_registry_terms | MINTED_REGISTRY_FOR_HYDRATE | identifier CHEBI:172950 -> kgmicrobe.compound:dl-isocitric_acid_trisodium_salt_hydrate; mapping_quality EXACT_MATCH -> NARROW_MATCH (#321/#334); §3 step 3. | |
| 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. |