CoCl2 x 4 H2O

Ontology mapping

Primary identifier: kgmicrobe.compound:cocl2_x_4_h2o
Ontology term: CHEBI:35696 — cobalt dichloride
Ontology label: cobalt dichloride

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.

Rejected enrichment labels (10)

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

Rejected label	Disposition	Source
CoCl2 . 6H2O	REJECTED_LABEL	kg_microbe
CoCl2 x 2 H2O	REJECTED_LABEL	kg_microbe
CoCl2 x 6 H2O	REJECTED_LABEL	kg_microbe
CoCl2 x 6H2O	REJECTED_LABEL	kg_microbe
CoCl2 · 6H2O	REJECTED_LABEL	kg_microbe
CoCl2·6H2O	REJECTED_LABEL	kg_microbe
CoCl2⋅6H2O	REJECTED_LABEL	kg_microbe
CoCl2・6H2O	REJECTED_LABEL	kg_microbe
cobalt(2+) chloride	REJECTED_LABEL	chebi_synonym_review
cobalt(II) chloride	REJECTED_LABEL	chebi_synonym_review

Chemical properties

Data source: PubChem (via CHEBI:35696)
Retrieval date: 2026-04-09T00:32:50.689620+00:00
Molecular formula: 2Cl.Co.4H2O
Inchi: InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2
Smiles: [Cl-].[Cl-].[Co+2]

Evidence (4)

DATABASE_MATCH via CultureMech

[HISTORICAL — superseded by the #321 re-grade below: this record is a hydrate of CHEBI:35696, not an exact match to it] Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321/#334)

identifier CHEBI:35696 -> kgmicrobe.compound:cocl2_x_4_h2o; mapping_quality EXACT_MATCH -> NARROW_MATCH. The record is a hydrate of CHEBI:35696 ('cobalt dichloride') 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 '2Cl.Co' -> '2Cl.Co.4H2O'. 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 4 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:35696's ChEBI formula ('2Cl.Co') — 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:35696 ('cobalt dichloride') — 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: 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 7646-79-9 from PubChem (via CHEBI:35696)
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 8 synonyms from kg-microbe P4.4 enrichment: CoCl2 . 6H2O, CoCl2 x 2 H2O, CoCl2 x 6 H2O, CoCl2 x 6H2O, CoCl2 · 6H2O, ... (3 more)
2026-05-01T07:35:32.857272+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.729837+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=2Cl.Co; inchi=InChI=1S/2ClH.Co/h2*1H;/q;;+2/p-2; smiles=[Cl-].[Cl-].[Co+2]
2026-05-02T03:12:13.468467+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-02T07:05:13.387744+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: MINERAL (confidence: 0.80)
2026-06-09T05:23:46.744219+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'CoCl2 x 4 H2O' -> 'cobalt dichloride': synced to canonical CHEBI label (preferred_term 'CoCl2 x 4 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
2026-08-13T00:00:00+00:00	mint_hydrate_registry_terms	MINTED_REGISTRY_FOR_HYDRATE		identifier CHEBI:35696 -> kgmicrobe.compound:cocl2_x_4_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 '2Cl.Co' -> '2Cl.Co.4H2O' (#321); the label states 4 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:35696's ChEBI formula ('2Cl.Co') — 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.
2026-08-27T03:16:39.518593+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 7/7 -> 8/8 (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]
2026-08-29T03:56:37.918502+00:00	hydrate_duplicate_merges	CORRECTED		cas_rn 7646-79-9 REMOVED, not replaced: it is the anhydrous CoCl2 CAS, so it names a different substance than this record. ChEBI has no term for this hydration state, so no authoritative CAS is available and substituting a guess is how wrong CAS numbers spread. Absent is recoverable; wrong is not (#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): 'CoCl2 . 6H2O', 'CoCl2 x 2 H2O', 'CoCl2 x 6 H2O', 'CoCl2 x 6H2O', 'CoCl2 · 6H2O', 'CoCl2·6H2O', 'CoCl2⋅6H2O', 'CoCl2・6H2O'.
2026-09-23T06:21:57.533412+00:00	claude LLM	REJECTED_WRONG_FORM_SYNONYMS	MAPPED	Retyped REJECTED_LABEL: 'cobalt(2+) chloride' (EXACT_SYNONYM), 'cobalt(II) chloride' (EXACT_SYNONYM): ChEBI names of the anhydrous parent CHEBI:35696, enriched onto the hydrate when it still shared that term (#232). The token is kept as provenance only; it must not resolve, be exported, or enter the SSSOM other column.
2026-10-06T00:23:29.093858+00:00	codex LLM	REMOVED_PARENT_IDENTITY	MAPPED	Removed kg_microbe_node_id CHEBI:35696, the anhydrous cobalt dichloride identity. The record already retains its distinct hydrate identifier and only a CLOSE_MATCH parent annotation, as documented in the #321/#334 and #342 curation events. The stale KG node field contradicted that decision and would republish the parent as identity through culturebotai-claw#571. No replacement KG node is asserted.