Na2HPO4 x 7 H2O

Ontology mapping

Primary identifier: kgmicrobe.compound:na2hpo4_x_7_h2o
Ontology term: CHEBI:34683 — disodium hydrogenphosphate
Ontology label: disodium hydrogenphosphate

Physicochemical roles

Role
BUFFER
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 (2)

Synonym	Type	Source	Occurrences
Na2HPO4.7H2O	HYDRATE_FORM	kg_microbe
Na2HPO4•7H2O	HYDRATE_FORM	unmapped_duplicate_review_2026_05_07

Rejected enrichment labels (10)

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

Rejected label	Disposition	Source
Na2HPO4 . 12H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x 12 H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x 2 H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x 2H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x 3 H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x 6 H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x H2O	REJECTED_LABEL	kg_microbe
Na2HPO4 x2 H2O	REJECTED_LABEL	kg_microbe
Na2HPO4.12H2O	REJECTED_LABEL	kg_microbe
Na2HPO4·12H2O	REJECTED_LABEL	kg_microbe

Chemical properties

Cas rn: 7782-85-6
Data source: CultureBotHT/compounds_to_cas.csv
Retrieval date: 2026-04-09T00:32:50.689620+00:00
Molecular formula: HO4P.2Na.7H2O
Inchi: InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
Smiles: O=P([O-])([O-])O.[Na+].[Na+]

Evidence (4)

DATABASE_MATCH via CultureMech

[HISTORICAL — superseded by the #321 re-grade below: this record is a hydrate of CHEBI:34683, not an exact match to it] Imported from CultureMech pipeline, quality=DIRECT_MATCH

DATABASE_MATCH via MIM curation (#321/#334)

identifier CHEBI:34683 -> kgmicrobe.compound:na2hpo4_x_7_h2o; mapping_quality EXACT_MATCH -> NARROW_MATCH. The record is a hydrate of CHEBI:34683 ('disodium hydrogenphosphate') 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 'HO4P.2Na' -> 'HO4P.2Na.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:34683's ChEBI formula ('HO4P.2Na') — 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:34683 ('disodium hydrogenphosphate') — 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: 26
Distinct media: 26

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 7782-85-6 from CultureBotHT/compounds_to_cas.csv
2026-04-18T00:00:00+00:00	cbclaw_kg_microbe_sweep LLM	ADDED_SYNONYMS	MAPPED	Added 11 synonyms from kg-microbe P4.4 enrichment: Na2HPO4 . 12H2O, Na2HPO4 x 12 H2O, Na2HPO4 x 2 H2O, Na2HPO4 x 2H2O, Na2HPO4 x 3 H2O, ... (6 more)
2026-05-01T07:35:35.184986+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:31.250258+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_CHEBI_CHEMISTRY		molecular_formula=HO4P.2Na; inchi=InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2; smiles=O=P([O-])([O-])O.[Na+].[Na+]
2026-05-02T03:12:16.991440+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-07T00:00:00+00:00	unmapped_duplicate_review_2026_05_07	MERGED_FROM_UNMAPPED_DUPLICATE	MAPPED	Absorbed duplicate unmapped record Na2hpo47h2o.yaml (UNMAPPED_0060); added 2 source occurrences and 2 source media counts. Hydrate state matches the mapped Na2HPO4 x 7 H2O representative and local OAK CHEBI resolves CHEBI:34683.
2026-06-09T04:56:30.248071+00:00	claude_in_session_curation	ANNOTATED		Added media role: BUFFER (confidence: 0.60)
2026-06-09T05:23:46.806604+00:00	correct_stale_ontology_labels.py	CORRECTED		ontology_label 'Na2HPO4 x 7 H2O' -> 'disodium hydrogenphosphate': synced to canonical CHEBI label (preferred_term 'Na2HPO4 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): BUFFER -> physicochemical_roles.BUFFER
2026-08-13T00:00:00+00:00	mint_hydrate_registry_terms	MINTED_REGISTRY_FOR_HYDRATE		identifier CHEBI:34683 -> kgmicrobe.compound:na2hpo4_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 'HO4P.2Na' -> 'HO4P.2Na.7H2O' (#321); the label states 7 water(s) of hydration, and the recorded formula was byte-identical to the anhydrous parent CHEBI:34683's ChEBI formula ('HO4P.2Na') — 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.
2026-08-27T03:16:39.519475+00:00	refresh_occurrence_statistics	CORRECTED		occurrence_statistics 19/19 -> 26/26 (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]
2026-09-12T00:00:00+00:00	fix_malformed_hydrate_identities	REJECTED_MALFORMED_HYDRATE_ALIASES	MAPPED	Marked malformed hydrate alias(es) as REJECTED_LABEL so they remain on their own #344 local identities only: 'Na2HPO4 x 3 H2O', 'Na2HPO4 x 6 H2O'.
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): 'Na2HPO4 . 12H2O', 'Na2HPO4 x 12 H2O', 'Na2HPO4 x 2 H2O', 'Na2HPO4 x 2H2O', 'Na2HPO4 x H2O', 'Na2HPO4 x2 H2O', 'Na2HPO4.12H2O', 'Na2HPO4·12H2O'.
2026-10-12T03:21:01.584912+00:00	claude LLM	REMOVED_PARENT_IDENTITY	MAPPED	Removed kg_microbe_node_id CHEBI:34683, the anhydrous disodium hydrogenphosphate identity. The record keeps its distinct heptahydrate identifier kgmicrobe.compound:na2hpo4_x_7_h2o, minted under §3 step 3 (#321/#334) because ChEBI has no term for this hydration state, and only a CLOSE_MATCH parent annotation (#342). The stale KG node field contradicted that ruling and kept the unified mapping publishing the anhydrous parent as the identity (#808, culturebotai-claw#571). No replacement KG node is asserted.