Cadmium acetate dihydrate

cas:5743-04-4 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:5743-04-4
Ontology term
CHEBI:232796 — cadmium acetate
Ontology label
cadmium acetate

Synonyms (1)

SynonymTypeSourceOccurrences
cadmium(2+);diacetate EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
5743-04-4
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C4H6CdO4.2H2O
Smiles
CC(=O)[O-].CC(=O)[O-].[Cd+2]
Inchi
InChI=1S/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
Pubchem cid
10986

Evidence (4)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 5743-04-4 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 1 CultureBot media; samples: FW104 COMM. Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 10986'

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:232796 ('cadmium acetate') — 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.

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'C4H6CdO4' -> 'C4H6CdO4.2H2O'. 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:232796's ChEBI formula ('2C2H3O2.Cd') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.

Occurrence statistics

Total occurrences
1
Distinct media
1

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:5743-04-4 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.537438+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:12.066648+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C4H6CdO4; smiles=CC(=O)[O-].CC(=O)[O-].[Cd+2]; inchi=InChI=1S/2C2H4O2.Cd/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;
2026-05-02T03:12:13.002184+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:42:29.212932+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:232796 (pubchem-xref)
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.
2026-08-13T00:00:00+00:00 add_water_of_hydration ADDED_WATER_OF_HYDRATION molecular_formula 'C4H6CdO4' -> 'C4H6CdO4.2H2O' (#321); the label states 2 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:232796's ChEBI formula ('2C2H3O2.Cd') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.