Ontology mapping
- Primary identifier
-
kgmicrobe.compound:cu_no32_x_3_h2o - Ontology term
-
CHEBI:78036— copper(II) nitrate - Ontology label
- copper(II) nitrate
Synonyms (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| copper(II) nitrate (anhydrous) | EXACT_SYNONYM | kg_microbe | |
| copper(2+) dinitrate | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 10031-43-3
- Data source
- CultureBotHT/compounds_to_cas.csv
- Retrieval date
- 2026-04-09T00:32:50.689620+00:00
- Molecular formula
- Cu.2NO3.3H2O
- Inchi
- InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1
- Smiles
- O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
Evidence (4)
[HISTORICAL — superseded by the #321 re-grade below: this record is a hydrate of CHEBI:78036, not an exact match to it] Imported from CultureMech pipeline, quality=DIRECT_MATCH
identifier CHEBI:78036 -> kgmicrobe.compound:cu_no32_x_3_h2o; mapping_quality EXACT_MATCH -> NARROW_MATCH. The record is a hydrate of CHEBI:78036 ('copper(II) nitrate') 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.
molecular_formula 'Cu.2NO3' -> 'Cu.2NO3.3H2O'. The recorded value described the anhydrous salt while the label names a hydrate, understating the mass by 18 g/mol per water. Corrected because the label states 3 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:78036's ChEBI formula ('Cu.2NO3') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:78036 ('copper(II) nitrate') — 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
- 2
- Distinct media
- 2
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-09T00:32:50.689620+00:00 | enrich_mim_cas_rn_batch | CAS_RN_ADDED | MAPPED | Added CAS-RN 10031-43-3 from CultureBotHT/compounds_to_cas.csv |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 1 synonyms from kg-microbe P4.4 enrichment: copper(II) nitrate (anhydrous) |
| 2026-05-01T07:35:32.937262+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.831051+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=Cu.2NO3; inchi=InChI=1S/Cu.2NO3/c;2*2-1(3)4/q+2;2*-1; smiles=O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2] | |
| 2026-05-02T03:12:13.577264+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T05:23:46.746528+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Cu(NO3)2 x 3 H2O' -> 'copper(II) nitrate': synced to canonical CHEBI label (preferred_term 'Cu(NO3)2 x 3 H2O' unchanged). | |
| 2026-08-13T00:00:00+00:00 | mint_hydrate_registry_terms | MINTED_REGISTRY_FOR_HYDRATE | identifier CHEBI:78036 -> kgmicrobe.compound:cu_no32_x_3_h2o; mapping_quality EXACT_MATCH -> NARROW_MATCH (#321/#334); §3 step 3. | |
| 2026-08-13T00:00:00+00:00 | add_water_of_hydration | ADDED_WATER_OF_HYDRATION | molecular_formula 'Cu.2NO3' -> 'Cu.2NO3.3H2O' (#321); the label states 3 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:78036's ChEBI formula ('Cu.2NO3') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation. | |
| 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. | |
| 2026-08-27T03:16:39.518635+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 1/1 -> 2/2 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] |