Ontology mapping
- Primary identifier
-
cas:10489-48-2 - Ontology term
-
CHEBI:46612— phosphorothioic acid - Ontology label
- phosphorothioic acid
Chemical properties
- Cas rn
- 10489-48-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- H2Na3O4PS
- Smiles
- O.[O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+]
- Inchi
- InChI=1S/3Na.H3O3PS.H2O/c;;;1-4(2,3)5;/h;;;(H3,1,2,3,5);1H2/q3*+1;;/p-3
- Pubchem cid
- 53442939
Evidence (3)
Imported from CultureBotHT. CAS-RN 10489-48-2 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: Hans80metals. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
Sodium thiophosphate tribasic hydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:46612 'phosphorothioic acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. trisodium hydrate salt of phosphorothioic acid (H3O3PS, neutral, 3-STAR). NOT CHEBI:37511 thiophosphate, a 1-STAR grouping term whose only child is organic thiophosphate; this record is inorganic Na3PO3S
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:46612 ('phosphorothioic acid') — 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:10489-48-2 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.367523+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:23.855139+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=H2Na3O4PS; smiles=O.[O-]P(=S)([O-])[O-].[Na+].[Na+].[Na+]; inchi=InChI=1S/3Na.H3O3PS.H2O/c;;;1-4(2,3)5;/h;;;(H3,1,2 | |
| 2026-05-02T03:12:18.526845+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:46612 'phosphorothioic acid' and registry kgmicrobe.compound:sodium_thiophosphate_tribasic_hydrate. identifier cas:10489-48-2 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. trisodium hydrate salt of phosphorothioic acid (H3O3PS, neutral, 3-STAR). NOT CHEBI:37511 thiophosphate, a 1-STAR grouping term whose only child is organic thiophosphate; this record is inorganic Na3PO3S | |
| 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. |