Cu(NO3)2 x 3 H2O

kgmicrobe.compound:cu_no32_x_3_h2o chemically defined MAPPED CHEBI CLOSE_MATCH

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)

SynonymTypeSourceOccurrences
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)

DATABASE_MATCH via CultureMech

[HISTORICAL — superseded by the #321 re-grade below: this record is a hydrate of CHEBI:78036, not an exact match to it] Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321/#334)

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.

DATABASE_MATCH via MIM curation (#321)

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.

DATABASE_MATCH via MIM curation (#342)

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

TimestampCuratorActionNew statusChanges
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]