CuSO4 x 2 H2O

Ontology mapping

Primary identifier: kgmicrobe.compound:cuso4_x_2_h2o
Ontology term: CHEBI:23414 — copper(II) sulfate
Ontology label: copper(II) sulfate

Nutritional roles

Role
TRACE_ELEMENT
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
CuSO4 . 2H2O	HYDRATE_FORM	kg_microbe

Rejected enrichment labels (4)

Provenance-only candidates: these are not synonyms and do not resolve to this record.

Rejected label	Disposition	Source
CuSO4 x 4 H2O	REJECTED_LABEL	kg_microbe
CuSO4 x H2O	REJECTED_LABEL	kg_microbe
cupric sulfate anhydrous	REJECTED_LABEL	kg_microbe
copper(2+) sulfate	REJECTED_LABEL	chebi_synonym_review

Evidence (3)

DATABASE_MATCH via CultureMech

SUPERSEDED (#312): Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'Cu.O4S' -> 'Cu.O4S.2H2O'. 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 2 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:23414's ChEBI formula ('Cu.O4S') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier CHEBI:23414 -> kgmicrobe.compound:cuso4_x_2_h2o; ontology CHEBI:23414 ('copper(II) sulfate') -> CHEBI:23414 ('copper(II) sulfate'); mapping_quality SYNONYM_MATCH -> CLOSE_MATCH. CuSO4 x 2 H2O is a MediaDive label for a hydration state no source verifies (hydrate_review: WRONG_TERM_ANHYDROUS, 'Probably CuSO4 x 5 H2O; phase studies establish the pentahydrate'). It shared CHEBI:23414 with the anhydrous CuSO4 record; the 2026-08-10 regrade to SYNONYM_MATCH still published exactMatch. The #344 malformed-hydrate shape: local identity, closeMatch to the anhydrous parent, chemistry blank, anhydrous aliases REJECTED_LABEL, memberships only for recipes whose source label names this row ('CuSO4 x 2 H2O', 'CuSO4 . 2H2O').

Occurrence statistics

Total occurrences: 8
Distinct media: 8

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 7758-98-7 from PubChem (via CHEBI:23414)
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 4 synonyms from kg-microbe P4.4 enrichment: CuSO4 . 2H2O, CuSO4 x 4 H2O, CuSO4 x H2O, cupric sulfate anhydrous
2026-05-01T07:35:32.979894+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.881923+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=Cu.O4S; inchi=InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/; smiles=O=S(=O)([O-])[O-].[Cu+2]
2026-05-02T03:12:13.629812+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-02T07:05:13.387933+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: MINERAL (confidence: 0.80)
2026-06-09T05:23:46.747385+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'CuSO4 x 2 H2O' -> 'copper(II) sulfate': synced to canonical CHEBI label (preferred_term 'CuSO4 x 2 H2O' unchanged).
2026-07-20T00:00:00+00:00	migrate_media_roles_to_facets	ANNOTATED		Migrated legacy media_roles to role facets (#128): MINERAL -> nutritional_roles.TRACE_ELEMENT
2026-08-10T00:00:00+00:00	regrade_synonym_matches	REGRADED_EXACT_TO_SYNONYM		mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label 'copper(II) sulfate'; it matches the ChEBI synonym 'cupric sulfate anhydrous' on CHEBI:23414. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch).
2026-08-13T00:00:00+00:00	add_water_of_hydration	ADDED_WATER_OF_HYDRATION		molecular_formula 'Cu.O4S' -> 'Cu.O4S.2H2O' (#321); the label states 2 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:23414's ChEBI formula ('Cu.O4S') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.
2026-08-27T03:16:39.518651+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 4/4 -> 187/187 (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]
2026-08-29T04:13:24.025883+00:00	hydrate_family_cas	CORRECTED		cas_rn 7758-98-7 REMOVED, not replaced: it is the anhydrous CuSO4 CAS, and this record names a hydrate -- a different substance with a different formula weight. ChEBI has no term for this hydration state, so no authoritative value can be substituted and a guess is how wrong CAS numbers spread. The grounding is separately wrong (#321); this corrects only the CAS (#334).
2026-09-12T00:00:00+00:00	reject_hidden_hydrate_synonym_collapses	REJECTED_HIDDEN_HYDRATE_SYNONYMS	MAPPED	Marked hidden hydrate synonym(s) as REJECTED_LABEL so this record no longer resolves sibling hydrate identities (#251): 'CuSO4 x 4 H2O', 'CuSO4 x H2O'.
2026-09-23T03:41:22.763552+00:00	claude LLM	MINTED_REGISTRY_IDENTIFIER	MAPPED	identifier CHEBI:23414 -> kgmicrobe.compound:cuso4_x_2_h2o; ontology CHEBI:23414 ('copper(II) sulfate') -> CHEBI:23414 ('copper(II) sulfate'); mapping_quality SYNONYM_MATCH -> CLOSE_MATCH. CuSO4 x 2 H2O is a MediaDive label for a hydration state no source verifies (hydrate_review: WRONG_TERM_ANHYDROUS, 'Probably CuSO4 x 5 H2O; phase studies establish the pentahydrate'). It shared CHEBI:23414 with the anhydrous CuSO4 record; the 2026-08-10 regrade to SYNONYM_MATCH still published exactMatch. The #344 malformed-hydrate shape: local identity, closeMatch to the anhydrous parent, chemistry blank, anhydrous aliases REJECTED_LABEL, memberships only for recipes whose source label names this row ('CuSO4 x 2 H2O', 'CuSO4 . 2H2O'). (#312) REJECTED_LABEL: cupric sulfate anhydrous, copper(2+) sulfate. chemical_properties blanked: the recorded structure was the anhydrous salt's.
2026-09-23T03:43:07.507160+00:00	claude LLM	REFRESHED_OCCURRENCE_STATISTICS	MAPPED	occurrence_statistics 187/187 -> 8/8 after the #312 registry mints moved memberships off the shared identifier; counts follow the source label through SOURCE_LABEL_IDENTIFIER_OVERRIDES.