MnSO4 x 1 H2O

Ontology mapping

Primary identifier: CHEBI:86364
Ontology label: manganese(II) sulfate monohydrate
kg-microbe node: CHEBI:86364

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 (1)

Synonym	Type	Source	Occurrences
MnSO4・xH2O	HYDRATE_FORM	kg_microbe

Rejected enrichment labels (7)

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 . 7H2O	REJECTED_LABEL	kg_microbe
MnSO4 x 7 H2O	REJECTED_LABEL	kg_microbe
MnSO4 x 7H2O	REJECTED_LABEL	kg_microbe
MnSO4.7H2O	REJECTED_LABEL	kg_microbe
MnSO4·7H2O	REJECTED_LABEL	kg_microbe
manganese(2+) sulfate	REJECTED_LABEL	chebi_synonym_review

Chemical properties

Cas rn: 10034-96-5
Data source: PubChem (via CHEBI:86360)
Retrieval date: 2026-04-09T00:32:50.689620+00:00
Molecular formula: Mn.O4S.H2O
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]

Evidence (2)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'Mn.O4S' -> 'Mn.O4S.H2O'. 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 1 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.

Occurrence statistics

Total occurrences: 0
Distinct media: 0

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 7 H2O, MnSO4 x 7H2O, MnSO4.7H2O, ... (2 more)
2026-05-01T07:35:34.844067+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:30.890633+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]
2026-05-02T03:12:16.542414+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-06-02T07:05:13.391372+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: MINERAL (confidence: 0.80)
2026-06-09T05:23:46.799839+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'MnSO4 x 1 H2O' -> 'manganese(II) sulfate': synced to canonical CHEBI label (preferred_term 'MnSO4 x 1 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.H2O' (#321); the label states 1 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.
2026-08-15T00:00:00+00:00	fix_hydrate_terms_and_twins	MERGED_INTO		Merged into CHEBI:86364 'MnSO4 x H2O'; occurrences transferred. 'MnSO4 x 1 H2O' and 'MnSO4 x H2O' are the same substance written two ways — an explicit `1` where the twin omits it — so the pair escaped dedup, and the loser was then grounded to the nearest term lexical matching could reach: CHEBI:86360 ('manganese(II) sulfate'), which does not carry the water its own label states. The #334 shadowing pattern. Found by cross-checking CultureBotAI/CultureMech#272, which grounds these labels correctly. Tombstoned REJECTED, SSSOM rows dropped.
2026-08-15T00:00:00+00:00	fix_tombstone_pointers	REFRESHED_TOMBSTONE_ONTOLOGY_ID		ontology_id CHEBI:86360 -> CHEBI:86364 (#360). The merge set identifier and status but left ontology_mapping untouched, so this tombstone kept advertising a term it no longer asserts — anything indexing by ontology_id routed through it. Now agrees with the merge target 'MnSO4 x H2O'. Provenance is unaffected: what the record used to assert is in this history.
2026-08-29T04:13:24.026560+00:00	hydrate_family_cas	CORRECTED		cas_rn 7785-87-7 -> 10034-96-5. 7785-87-7 is the ANHYDROUS parent's CAS. This record is grounded to CHEBI:86364 manganese(II) sulfate monohydrate, whose ChEBI dbxref is 10034-96-5 (#334).
2026-09-09T00:00:00+00:00	fix_kg_microbe_node_id_drift	CORRECTED		kg_microbe_node_id CHEBI:86360 -> CHEBI:86364 (#554). The compatibility node id lagged a same-prefix identifier correction; the downstream node id must match the curated identifier unless a record intentionally crosses CURIE prefixes.
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): 'Manganese sulfate anhydrous'; 'MnSO4 . 7H2O'; 'MnSO4 x 7 H2O'; 'MnSO4 x 7H2O'; 'MnSO4.7H2O'; 'MnSO4·7H2O'; 'manganese(2+) sulfate'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.