ammonium molybdate tetrahydrate

Ontology mapping

Primary identifier: CHEBI:86244
Ontology label: hexaammonium heptamolybdate tetrahydrate

Nutritional roles

Role
TRACE_ELEMENT
Confidence
0.6
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Assigned by in-session Claude reasoning (no external API)
  Curator note
  Provisional in-session LLM role assignment; review recommended.

Synonyms (9)

Synonym	Type	Source
(NH4)6Mo7O4	RAW_TEXT	sssom_other_backfill
(NH4)6MoO24·4H2O	RAW_TEXT	sssom_other_backfill
(NH4)6MoO7O24	RAW_TEXT	sssom_other_backfill
(NH4)6MoO7O24 x 4 H2O	RAW_TEXT	sssom_other_backfill
(NH4)Mo7O24·4H2O	RAW_TEXT	sssom_other_backfill
(NH4)MoO7O24	RAW_TEXT	sssom_other_backfill
(NH4)MoO7O24 x 4 H2O	RAW_TEXT	sssom_other_backfill
ammonium heptamolybdate tetrahydrate	RELATED_SYNONYM	CHEBI:86244
ammonium paramolybdate tetrahydrate	RELATED_SYNONYM	CHEBI:86244

Rejected enrichment labels (2)

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

Rejected label	Disposition	Source	Occurrences
bisammonium dioxido(dioxo)molybdenum	REJECTED_LABEL	chebi_synonym_review
(NH4)6Mo7O4 x 24 H2O	REJECTED_LABEL	sssom_other_backfill

Chemical properties

Cas rn: 12054-85-2
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: H32Mo7N6O28
Smiles: N.N.N.N.N.N.O.O.O.O.O[Mo](=O)(=O)O.O[Mo](=O)(=O)O.O[Mo](=O)(=O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
Inchi: InChI=1S/7Mo.6H3N.10H2O.18O/h;;;;;;;6*1H3;10*1H2;;;;;;;;;;;;;;;;;;/q;;;;3*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
Pubchem cid: 16211167

Evidence (4)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 12054-85-2 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 11 CultureBot media; samples: PM acetate, PM N2O, CAAc…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via OLS (stem-substring)

Parent class identified via stem-substring; matched_via='ammonium molybdate tetrahydrate'

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:91249 ('ammonium molybdate') — 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.

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier cas:12054-85-2 -> CHEBI:86244; ontology CHEBI:91249 ('ammonium molybdate') -> CHEBI:86244 ('hexaammonium heptamolybdate tetrahydrate'); mapping_quality CLOSE_MATCH -> SYNONYM_MATCH. The record (H32Mo7N6O28, CAS 12054-85-2) is the heptamolybdate; CHEBI:91249 'ammonium molybdate' is the diammonium orthomolybdate (2H4N.MoO4, one Mo), a different polyanion, not the anhydrous parent of this hydrate. ChEBI has the substance: CHEBI:86244 'hexaammonium heptamolybdate tetrahydrate' (4H2O.6H4N.Mo7O24) carries the related synonym 'ammonium molybdate tetrahydrate', the record's exact label, on no other term. Section 3 step 1 with a unique synonym: SYNONYM_MATCH. The CAS stays on its registry row.

Occurrence statistics

Total occurrences: 12
Distinct media: 12

Curation history

Timestamp	Curator	Action	New status	Changes
2026-04-29T06:51:33.117170+00:00	audit_add_remaining_culturebotht	CREATED_FROM_CAS_FALLBACK	MAPPED	Created with cas:12054-85-2 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.157060+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:46.884925+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=H32Mo7N6O28; smiles=N.N.N.N.N.N.O.O.O.O.O[Mo](=O)(=O)O.O[Mo](=O)(=O)O.; inchi=InChI=1S/7Mo.6H3N.10H2O.18O/h;;;;;;;61H3;101H2;;
2026-05-02T03:12:12.447070+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:39:54.900201+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:91249 (stem-substring)
2026-06-09T04:56:30.247767+00:00	claude_in_session_curation	ANNOTATED		Added media role: TRACE_ELEMENT (confidence: 0.60)
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	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.
2026-08-27T03:16:39.518346+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 11/11 -> 12/12 (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]
2026-09-02T22:41:49.137449+00:00	claude_sssom_surface_form_backfill	ADDED_SYNONYMS		Recovered 8 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '(NH4)6Mo7O4'; '(NH4)6Mo7O4 x 24 H2O'; '(NH4)6MoO24·4H2O'; '(NH4)6MoO7O24'; '(NH4)6MoO7O24 x 4 H2O'; '(NH4)Mo7O24·4H2O'; '(NH4)MoO7O24'; '(NH4)MoO7O24 x 4 H2O'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).
2026-09-12T00:00:00+00:00	reject_hidden_hydrate_synonym_collapses	REJECTED_HIDDEN_HYDRATE_SYNONYMS	MAPPED	Marked hidden hydrate synonym(s) as REJECTED_LABEL so this record no longer resolves sibling hydrate identities (#251): '(NH4)6Mo7O4 x 24 H2O'.
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): 'bisammonium dioxido(dioxo)molybdenum'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.
2026-09-23T00:44:54.421176+00:00	claude LLM	REGROUNDED_IDENTITY	MAPPED	identifier cas:12054-85-2 -> CHEBI:86244; ontology CHEBI:91249 ('ammonium molybdate') -> CHEBI:86244 ('hexaammonium heptamolybdate tetrahydrate'); mapping_quality CLOSE_MATCH -> SYNONYM_MATCH. The record (H32Mo7N6O28, CAS 12054-85-2) is the heptamolybdate; CHEBI:91249 'ammonium molybdate' is the diammonium orthomolybdate (2H4N.MoO4, one Mo), a different polyanion, not the anhydrous parent of this hydrate. ChEBI has the substance: CHEBI:86244 'hexaammonium heptamolybdate tetrahydrate' (4H2O.6H4N.Mo7O24) carries the related synonym 'ammonium molybdate tetrahydrate', the record's exact label, on no other term. Section 3 step 1 with a unique synonym: SYNONYM_MATCH. The CAS stays on its registry row. (#312) Synonyms added: ammonium heptamolybdate tetrahydrate, ammonium paramolybdate tetrahydrate.