Ontology mapping
- Primary identifier
-
cas:16373-93-6 - Ontology term
-
CHEBI:17256— 2'-deoxyadenosine - Ontology label
- 2'-deoxyadenosine
Chemical properties
- Cas rn
- 16373-93-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C10H15N5O4
- Smiles
- C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O.O
- Inchi
- InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7;/h3-7,16-17H,1-2H2,(H2,11,12,13);1H2/t5-,6+,7+;/m0./s1
- Pubchem cid
- 9549172
Evidence (3)
Imported from CultureBotHT. CAS-RN 16373-93-6 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.
2-Deoxyadenosine monohydrate is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:17256 '2'-deoxyadenosine' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. monohydrate of 2'-deoxyadenosine
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:17256 ("2'-deoxyadenosine") — 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:16373-93-6 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:31.718321+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:51:09.281218+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C10H15N5O4; smiles=C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O.O; inchi=InChI=1S/C10H13N5O3.H2O/c11-9-8-10(13-3-12-9)15(4- | |
| 2026-05-02T03:12:11.833945+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:17256 '2'-deoxyadenosine' and registry kgmicrobe.compound:2-deoxyadenosine_monohydrate. identifier cas:16373-93-6 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. monohydrate of 2'-deoxyadenosine | |
| 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. |