Ontology mapping
- Primary identifier
-
CHEBI:3312 - Ontology label
- calcium dichloride
- kg-microbe node
CHEBI:3312
Nutritional roles
- Role
- MINERAL_SOURCE
- Confidence
- 1.0
- Evidence
- Reference text
- CultureMech database (15 occurrences as 'Mineral source')
- Reference type
- DATABASE_ENTRY
- Url
- https://github.com/CultureBotAI/CultureMech
- Excerpt
- Role: Mineral source; Properties: Defined component, Inorganic compound, Simple component
- Curator note
- Widespread use in media formulations (15 occurrences). High confidence based on 'Defined component' property.
Synonyms (3)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Role: Mineral source; Properties: Inorganic compound, Defined component, Simple component | RAW_TEXT | CultureMech | |
| CaCl22H2O | HYDRATE_FORM | kg_microbe | |
| calcium chloride | EXACT_SYNONYM | chebi_synonym_review |
Rejected enrichment labels (2)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| CaCl2 × 2 H2O | REJECTED_LABEL | kg_microbe | |
| CaCl2*2H2O | REJECTED_LABEL | kg_microbe |
Chemical properties
- Cas rn
- 10043-52-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-05T21:48:44.807586+00:00
- Molecular formula
- Ca.2Cl
- Inchi
- InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
- Smiles
- [Ca+2].[Cl-].[Cl-]
Evidence (2)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
MANUAL_REVIEW
via family_mismatch_fix
fix(family-mismatch): was CHEBI:86158 (calcium chloride dihydrate); generic "Calcium Chloride" name maps to the anhydrous parent CHEBI:3312, matching CAS-RN 10043-52-4. Hydrate-specific records (Cacl22h2o_2, Cacl2_X_2_H2o) retain CHEBI:86158.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
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 |
| 2026-04-05T21:48:44.807588+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:10043-52-4 from CultureBotHT compounds_to_cas.csv (matched: Calcium Chloride) |
| 2026-04-05T21:48:44.809384+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:10043-52-4 from CultureBotHT compounds_to_cas.csv (matched: Calcium chloride) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 3 synonyms from kg-microbe P4.4 enrichment: CaCl2 × 2 H2O, CaCl2*2H2O, CaCl22H2O |
| 2026-04-19T07:39:23.955331+00:00 | audit_mim_merge | MERGED_FROM_DUPLICATES | MAPPED | Absorbed 1 duplicate MIM record(s) into this one: Calcium_Chloride_2.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break. |
| 2026-05-01T07:35:32.554292+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.376919+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=Ca.2Cl.2H2O; inchi=InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2; smiles=O.O.[Ca+2].[Cl-].[Cl-] | |
| 2026-05-02T03:12:13.026286+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T15:00:00+00:00 | family_mismatch_fix | REMAPPED_ONTOLOGY | CHEBI:86158 (calcium chloride dihydrate) → CHEBI:3312 (calcium dichloride); generic ingredient name "Calcium Chloride" should use anhydrous parent. Cleared chemical_properties molecular_formula/inchi/smiles (were dihydrate-specific) and kg_microbe_node_id for re-backfill against the new CHEBI. | |
| 2026-05-02T23:59:49.869643+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=Ca.2Cl; inchi=InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2; smiles=[Ca+2].[Cl-].[Cl-] | |
| 2026-05-29T23:35:36.110371+00:00 | extract_roles_from_synonyms | ANNOTATED | Added media role: MINERAL (confidence: 1.00) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): MINERAL -> nutritional_roles.MINERAL_SOURCE | |
| 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 'calcium dichloride'; it matches the ChEBI synonym 'calcium chloride' on CHEBI:3312. 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). | |
| 2026-08-20T00:00:00+00:00 | merge_identifier_collisions | MERGED_INTO | Merged into 'CaCl2' on CHEBI:3312 (#414). formula versus name for the same anhydrous salt; identical CAS 10043-52-4 and formula Ca.2Cl. Neither label mentions hydration, so this is not the hydrate/anhydrous trap that rules out the CuSO4 and FeSO4 families. Occurrences transferred; kept as a RAW_TEXT synonym there. | |
| 2026-09-23T06:21:57.501233+00:00 | claude LLM | REJECTED_WRONG_FORM_SYNONYMS | REJECTED | Retyped REJECTED_LABEL: 'CaCl2 × 2 H2O' (HYDRATE_FORM), 'CaCl2*2H2O' (HYDRATE_FORM): dihydrate labels on the anhydrous CHEBI:3312 tombstone; the dihydrate is Cacl2_X_2_H2o (#232). The token is kept as provenance only; it must not resolve, be exported, or enter the SSSOM other column. |