FeSO4 x 7H2O

Ontology mapping

Primary identifier: CHEBI:75836
Ontology label: iron(2+) sulfate heptahydrate
kg-microbe node: CHEBI:75836

Nutritional roles

Role
IRON_SOURCE
Confidence
1.0
Evidence
- Reference type
  DATABASE_ENTRY
  Reference text
  Imported from CultureMech pipeline
  Curator note
  Original role text: Mineral

Synonyms (2)

Synonym	Type	Source	Occurrences
Role: Mineral source; Properties: Inorganic compound, Defined component, Simple component	RAW_TEXT	CultureMech
FeSO4 x7 H2O	HYDRATE_FORM	kg_microbe

Rejected enrichment labels (8)

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

Rejected label	Disposition	Source
FeSO4 x 5 H2O	REJECTED_LABEL	kg_microbe
FeSO4 x 6 H2O	REJECTED_LABEL	kg_microbe
FeSO4 x 6H2O	REJECTED_LABEL	kg_microbe
FeSO4·6H2O	REJECTED_LABEL	kg_microbe
FeSO4・6H2O	REJECTED_LABEL	kg_microbe
ferrous sulfate (anhydrous)	REJECTED_LABEL	kg_microbe
ferrous sulfate anhydrous	REJECTED_LABEL	kg_microbe
iron(2+) sulfate	REJECTED_LABEL	chebi_synonym_review

Chemical properties

Cas rn: 7782-63-0
Data source: PubChem API (ontology label)
Retrieval date: 2026-04-05T23:44:40.986504+00:00
Molecular formula: Fe.O4S.7H2O
Inchi: InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
Smiles: O=S(=O)([O-])[O-].[Fe+2]

Evidence (2)

DATABASE_MATCH via CultureMech

Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321)

molecular_formula 'Fe.O4S' -> 'Fe.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:75832's ChEBI formula ('Fe.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
2026-04-05T23:44:40.986514+00:00	fetch_cas_rn_with_preprocessing	ADDED_CAS_RN	MAPPED	Added CAS-RN:7720-78-7 from PubChem API (ontology label) via name preprocessing (FeSO4 x 7H2O)
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 8 synonyms from kg-microbe P4.4 enrichment: FeSO4 x 5 H2O, FeSO4 x 6 H2O, FeSO4 x 6H2O, FeSO4 x7 H2O, FeSO4·6H2O, ... (3 more)
2026-05-01T07:35:33.632050+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:29.609295+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=Fe.O4S; inchi=InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/; smiles=O=S(=O)([O-])[O-].[Fe+2]
2026-05-02T03:12:14.491983+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-29T23:35:36.111167+00:00	extract_roles_from_synonyms	ANNOTATED		Added media role: MINERAL (confidence: 1.00)
2026-07-20T00:00:00+00:00	migrate_media_roles_to_facets	ANNOTATED		Migrated legacy media_roles to role facets (#128): MINERAL -> nutritional_roles.IRON_SOURCE
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 'iron(2+) sulfate (anhydrous)'; it matches the ChEBI synonym 'ferrous sulfate anhydrous' on CHEBI:75832. 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 'Fe.O4S' -> 'Fe.O4S.7H2O' (#321); the label states 7 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:75832's ChEBI formula ('Fe.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:75836 'FeSO4 x 7 H2O'; occurrences transferred. 'FeSO4 x 7H2O' and 'FeSO4 x 7 H2O' are the same substance written two ways — a missing space before H2O — so the pair escaped dedup, and the loser was then grounded to the nearest term lexical matching could reach: CHEBI:75832 ('iron(2+) sulfate (anhydrous)'), 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:75832 -> CHEBI:75836 (#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 'FeSO4 x 7 H2O'. Provenance is unaffected: what the record used to assert is in this history.
2026-08-29T04:13:24.026340+00:00	hydrate_family_cas	CORRECTED		cas_rn 7720-78-7 -> 7782-63-0. 7720-78-7 is the ANHYDROUS parent's CAS. This record is grounded to CHEBI:75836 iron(2+) sulfate heptahydrate, whose ChEBI dbxref is 7782-63-0 (#334).
2026-09-09T00:00:00+00:00	fix_kg_microbe_node_id_drift	CORRECTED		kg_microbe_node_id CHEBI:75832 -> CHEBI:75836 (#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): 'FeSO4 x 5 H2O'; 'FeSO4 x 6 H2O'; 'FeSO4 x 6H2O'; 'FeSO4·6H2O'; 'FeSO4・6H2O'; 'ferrous sulfate (anhydrous)'; 'ferrous sulfate anhydrous'; 'iron(2+) sulfate'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated.