Beta-Glycerophosphate disodium salt hydrate

Ontology mapping

Primary identifier: cas:154804-51-0
Ontology term: CHEBI:17270 — glycerol 2-phosphate
Ontology label: glycerol 2-phosphate

Synonyms (1)

Synonym	Type	Source	Occurrences
Na2-ß-glycerophosphate	RAW_TEXT	sssom_other_backfill

Chemical properties

Cas rn: 154804-51-0
Data source: CultureBotHT compounds_to_cas.csv
Retrieval date: 2026-04-29T06:51:33.117170+00:00
Molecular formula: C3H9Na2O7P
Smiles: C(C(C[O-])OP(=O)(O)O)[O-].O.[Na+].[Na+]
Inchi: InChI=1S/C3H7O6P.2Na.H2O/c4-1-3(2-5)9-10(6,7)8;;;/h3H,1-2H2,(H2,6,7,8);;;1H2/q-2;2*+1;
Pubchem cid: 44828775

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 154804-51-0 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 anchor_cas_hydrate_records

Beta-Glycerophosphate disodium salt hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:17270 'glycerol 2-phosphate' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. disodium salt hydrate of glycerol 2-phosphate

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:17270 ('glycerol 2-phosphate') — 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:154804-51-0 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:32.384922+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:52:06.789730+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C3H9Na2O7P; smiles=C(C(C[O-])OP(=O)(O)O)[O-].O.[Na+].[Na+]; inchi=InChI=1S/C3H7O6P.2Na.H2O/c4-1-3(2-5)9-10(6,7)8;;;/
2026-05-02T03:12:12.785018+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-08-05T18:02:35.008352+00:00	anchor_cas_hydrate_records LLM	CORRECTED		Added Section 3 anchor rows: narrowMatch CHEBI:17270 'glycerol 2-phosphate' and registry kgmicrobe.compound:beta-glycerophosphate_disodium_salt_hydrate. identifier cas:154804-51-0 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. disodium salt hydrate of glycerol 2-phosphate
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.
2026-09-02T17:40:44.716277+00:00	claude_sssom_surface_form_backfill	ADDED_SYNONYMS		Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: 'Na2-ß-glycerophosphate'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520).