D-Fructose 6-phosphate disodium salt hydrate

Ontology mapping

Primary identifier: cas:26177-86-6
Ontology term: CHEBI:190546 — D-Fructose 6-Phosphate-Disodium Salt
Ontology label: D-Fructose 6-Phosphate-Disodium Salt

Nutritional roles

Role
CARBON_SOURCE
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
disodium;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] phosphate	EXACT_SYNONYM	chebi_synonym_review

Chemical properties

Cas rn: 26177-86-6
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C6H11Na2O9P
Smiles: C(C(C(C(C(=O)CO)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+]
Inchi: InChI=1S/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h4-7,9-11H,1-2H2,(H2,12,13,14);;/q;2*+1/p-2/t4-,5-,6-;;/m1../s1
Pubchem cid: 22812950

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 26177-86-6 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 22812950'

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:190546 ('D-Fructose 6-Phosphate-Disodium Salt') — 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: 0
Distinct media: 0

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:26177-86-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:33.067906+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:29.199208+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C6H11Na2O9P; smiles=C(C(C(C(C(=O)CO)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+]; inchi=InChI=1S/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-
2026-05-02T03:12:13.744496+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:44:50.355010+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:190546 (pubchem-xref)
2026-06-03T02:06:01.738391+00:00	infer_roles_from_name_lists	ANNOTATED		Added media role: CARBON_SOURCE (confidence: 0.80)
2026-07-20T00:00:00+00:00	migrate_media_roles_to_facets	ANNOTATED		Migrated legacy media_roles to role facets (#128): CARBON_SOURCE -> nutritional_roles.CARBON_SOURCE
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.