gold (III) chloride hydrate

cas:27988-77-8 chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
cas:27988-77-8
Ontology term
CHEBI:30076 — gold trichloride
Ontology label
gold trichloride

Chemical properties

Cas rn
27988-77-8
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
AuCl4H3O
Smiles
O.Cl.Cl[Au](Cl)Cl
Inchi
InChI=1S/Au.4ClH.H2O/h;4*1H;1H2/q+3;;;;;/p-3
Pubchem cid
86810463

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 27988-77-8 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via anchor_cas_hydrate_records

gold (III) chloride hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:30076 'gold trichloride' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. hydrate of gold trichloride

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:30076 ('gold trichloride') — 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
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:27988-77-8 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:33.863531+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:53:23.384469+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=AuCl4H3O; smiles=O.Cl.Cl[Au](Cl)Cl; inchi=InChI=1S/Au.4ClH.H2O/h;4*1H;1H2/q+3;;;;;/p-3
2026-05-02T03:12:14.813145+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-05T18:02:35.008352+00:00 anchor_cas_hydrate_records LLM CORRECTED Added Section 3 anchor rows: narrowMatch CHEBI:30076 'gold trichloride' and registry kgmicrobe.compound:gold_iii_chloride_hydrate. identifier cas:27988-77-8 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. hydrate of gold trichloride
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.