CaCl22H2O

CHEBI:86158 chemically defined REJECTED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
CHEBI:86158
Ontology label
calcium chloride dihydrate
kg-microbe node
CHEBI:86158

Nutritional roles

Synonyms (5)

SynonymTypeSourceOccurrences
Role: Mineral source; Properties: Inorganic compound, Defined component, Simple component RAW_TEXT CultureMech
Role: Mineral source; Properties: Simple component, Inorganic compound, Defined component RAW_TEXT CultureMech
CaCl2 × 2 H2O HYDRATE_FORM kg_microbe
CaCl2*2H2O HYDRATE_FORM kg_microbe
calcium chloride--water (1/2) EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
10035-04-8
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-05T21:48:44.790820+00:00
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-]

Evidence (1)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-03-09T06:54:18.022301+00:00 import_from_culturemech IMPORTED MAPPED Initial import from CultureMech pipeline
2026-04-05T21:48:44.790826+00:00 fetch_cas_rn_from_culturebot_csv ADDED_CAS_RN MAPPED Added CAS-RN:10035-04-8 from CultureBotHT compounds_to_cas.csv (matched: CaCl22H2O)
2026-04-18T00:00:00+00:00 cbclaw_kg_microbe_sweep LLM ADDED_SYNONYMS MAPPED Added 2 synonyms from kg-microbe P4.4 enrichment: CaCl2 × 2 H2O, CaCl2*2H2O
2026-05-01T07:35:32.507726+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.326580+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-]
2026-05-02T03:12:12.965185+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.110330+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 chloride dihydrate'; it matches the ChEBI synonym 'CaCl2.2H2O' on CHEBI:86158. 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 x 2 H2O' on CHEBI:86158 (#414). the same string with the spacing removed — identical CAS 10035-04-8 and formula Ca.2Cl.2H2O, and no reading of 'CaCl22H2O' yields anything but calcium chloride dihydrate. Occurrences transferred; kept as a RAW_TEXT synonym there.