CeCl3 x 7 H2O

kgmicrobe.compound:cecl3_x_7_h2o chemically defined MAPPED CHEBI CLOSE_MATCH

Ontology mapping

Primary identifier
kgmicrobe.compound:cecl3_x_7_h2o
Ontology term
CHEBI:35458 — cerium trichloride
Ontology label
cerium trichloride

Nutritional roles

Rejected enrichment labels (3)

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

Rejected labelDispositionSourceOccurrences
cerium(3+) chloride REJECTED_LABEL chebi_synonym_review
cerium(III) chloride REJECTED_LABEL chebi_synonym_review
trichloridocerium REJECTED_LABEL chebi_synonym_review

Chemical properties

Data source
PubChem (via CHEBI:35458)
Retrieval date
2026-04-09T00:32:50.689620+00:00
Molecular formula
CeCl3.7H2O
Inchi
InChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3
Smiles
[Cl][Ce]([Cl])[Cl]

Evidence (4)

DATABASE_MATCH via CultureMech

[HISTORICAL — superseded by the #321 re-grade below: this record is a hydrate of CHEBI:35458, not an exact match to it] Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321/#334)

identifier CHEBI:35458 -> kgmicrobe.compound:cecl3_x_7_h2o; mapping_quality EXACT_MATCH -> NARROW_MATCH. The record is a hydrate of CHEBI:35458 ('cerium trichloride') 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 'CeCl3' -> 'CeCl3.7H2O'. 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 7 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:35458's ChEBI formula ('CeCl3') — 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:35458 ('cerium 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
4
Distinct media
4

Curation history

TimestampCuratorActionNew statusChanges
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 7790-86-5 from PubChem (via CHEBI:35458)
2026-05-01T07:35:32.670269+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.491723+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=CeCl3; inchi=InChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3; smiles=[Cl][Ce]([Cl])[Cl]
2026-05-02T03:12:13.189956+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-09T04:56:30.247812+00:00 claude_in_session_curation ANNOTATED Added media role: TRACE_ELEMENT (confidence: 0.60)
2026-06-09T05:23:46.736943+00:00 correct_stale_ontology_labels.py CORRECTED ontology_label 'CeCl3 x 7 H2O' -> 'cerium trichloride': synced to canonical CHEBI label (preferred_term 'CeCl3 x 7 H2O' unchanged).
2026-07-20T00:00:00+00:00 migrate_media_roles_to_facets ANNOTATED Migrated legacy media_roles to role facets (#128): TRACE_ELEMENT -> nutritional_roles.TRACE_ELEMENT
2026-08-13T00:00:00+00:00 mint_hydrate_registry_terms MINTED_REGISTRY_FOR_HYDRATE identifier CHEBI:35458 -> kgmicrobe.compound:cecl3_x_7_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 'CeCl3' -> 'CeCl3.7H2O' (#321); the label states 7 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:35458's ChEBI formula ('CeCl3') — 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.
2026-08-27T03:16:39.518539+00:00 refresh_occurrence_statistics CORRECTED occurrence_statistics 2/2 -> 4/4 (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]
2026-08-29T04:18:06.717442+00:00 hydrate_family_cas CORRECTED cas_rn 7790-86-5 REMOVED, not replaced: it is the anhydrous CeCl3 CAS, and this record names a hydrate -- a different substance with a different formula weight. ChEBI has no term for this hydration state, so no authoritative value can be substituted. The grounding is separately wrong (#321); this corrects only the CAS (#334).
2026-09-22T20:41:14.285965+00:00 claude LLM REJECTED_PARENT_NAME_SYNONYMS Retyped names of the parent compound or of a different hydrate as provenance-only REJECTED_LABEL, because this record is a distinct salt, hydrate or tombstone form and the label index resolved the parent's name here (#232): 'cerium(3+) chloride'; 'cerium(III) chloride'; 'trichloridocerium'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.