MnSO4 x 7 H2O

Ontology mapping

Primary identifier: kgmicrobe.compound:mnso4_x_7_h2o
Ontology term: CHEBI:86360 — manganese(II) sulfate
Ontology label: manganese(II) sulfate

Nutritional roles

Role
TRACE_ELEMENT
Confidence
0.8
Evidence
- Reference type
  COMPUTATIONAL_PREDICTION
  Reference text
  Inferred from curated media-role name pattern
  Curator note
  Provisional role from a curated name-pattern rule; review recommended.

Synonyms (4)

Synonym	Type	Source
MnSO4 . 7H2O	HYDRATE_FORM	kg_microbe
MnSO4 x 7H2O	HYDRATE_FORM	kg_microbe
MnSO4.7H2O	HYDRATE_FORM	kg_microbe
MnSO4·7H2O	HYDRATE_FORM	kg_microbe

Rejected enrichment labels (6)

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

Rejected label	Disposition	Source
Manganese sulfate anhydrous	REJECTED_LABEL	kg_microbe
MnSO4 x 1 H2O	REJECTED_LABEL	kg_microbe
MnSO4・xH2O	REJECTED_LABEL	kg_microbe
manganese(2+) sulfate	REJECTED_LABEL	chebi_synonym_review
MnSO4 x n H2O	REJECTED_LABEL	sssom_other_backfill
MnSO4·nH2O	REJECTED_LABEL	sssom_other_backfill

Chemical properties

Molecular formula: Mn.O4S.7H2O
Data source: MIM curation (#652)

Evidence (3)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'Mn.O4S' -> 'Mn.O4S.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:86360's ChEBI formula ('Mn.O4S') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.

CURATOR_JUDGMENT via MIM curation (#652)

MnSO4 x 7 H2O names a formula-supported hydrate, but no exact external ontology term is verified. CHEBI:86360 (manganese(II) sulfate) is retained only as the asymmetric anhydrous parent while the supplied hydrate keeps a local kgmicrobe.compound identity.

Occurrence statistics

Total occurrences: 16
Distinct media: 16

Curation history

Timestamp	Curator	Action	New status	Changes
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 7785-87-7 from PubChem (via CHEBI:86360)
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 7 synonyms from kg-microbe P4.4 enrichment: Manganese sulfate anhydrous, MnSO4 . 7H2O, MnSO4 x 1 H2O, MnSO4 x 7H2O, MnSO4.7H2O, ... (2 more)
2026-05-01T07:35:34.868179+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.916749+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=Mn.O4S; inchi=InChI=1S/Mn.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/; smiles=O=S(=O)([O-])[O-].[Mn+2]
2026-05-02T03:12:16.572695+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-02T07:05:13.391398+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: MINERAL (confidence: 0.80)
2026-06-09T05:23:46.800306+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'MnSO4 x 7 H2O' -> 'manganese(II) sulfate': synced to canonical CHEBI label (preferred_term 'MnSO4 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): MINERAL -> nutritional_roles.TRACE_ELEMENT
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 'manganese(II) sulfate'; it matches the ChEBI synonym 'Manganese sulfate anhydrous' on CHEBI:86360. 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).
2026-08-13T00:00:00+00:00	add_water_of_hydration	ADDED_WATER_OF_HYDRATION		molecular_formula 'Mn.O4S' -> 'Mn.O4S.7H2O' (#321); the label states 7 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:86360's ChEBI formula ('Mn.O4S') — the mark of a value inherited from the parent rather than measured for this record. Water appended in ChEBI's own dot-separated notation.
2026-08-27T03:16:39.519349+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 6/6 -> 415/415 (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]
2026-08-29T04:13:24.026575+00:00	hydrate_family_cas	CORRECTED		cas_rn 7785-87-7 REMOVED, not replaced: it is the anhydrous MnSO4 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 and a guess is how wrong CAS numbers spread. The grounding is separately wrong (#321); this corrects only the CAS (#334).
2026-09-02T22:41:49.137449+00:00	claude_sssom_surface_form_backfill	ADDED_SYNONYMS		Recovered 2 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'MnSO4 x n H2O'; 'MnSO4·nH2O'. 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): 'MnSO4 x 1 H2O', 'MnSO4・xH2O', 'MnSO4 x n H2O', 'MnSO4·nH2O'.
2026-09-12T00:00:00+00:00	fix_hydrate_local_identities	LOCALIZED_HYDRATE_IDENTITY	MAPPED	identifier CHEBI:86360 -> kgmicrobe.compound:mnso4_x_7_h2o; mapping_quality SYNONYM_MATCH -> NARROW_MATCH. Preserved the curated formula Mn.O4S.7H2O, cleared parent-derived chemical_properties {'data_source': 'PubChem (via CHEBI:86360)', 'retrieval_date': '2026-04-09T00:32:50.689620+00:00', 'molecular_formula': 'Mn.O4S.7H2O', 'inchi': 'InChI=1S/Mn.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2', 'smiles': 'O=S(=O)([O-])[O-].[Mn+2]'}, and marked 2 parent-derived synonym(s) as REJECTED_LABEL (#652).
2026-09-12T00:00:00+00:00	fix_hydrate_local_identities	REFRESHED_HYDRATE_OCCURRENCES	MAPPED	occurrence_statistics 415/415 -> 16/16 after moving reviewed hydrate source labels off their anhydrous parent identifiers and onto their exact hydrate identities (#652).