Ontology mapping
- Primary identifier
-
CHEBI:17712 - Ontology label
- 9H-xanthine
- Notes
- Created from FEBA ontology enrichment workflow. Used in 16 FEBA media formulations. Retain the existing CAS-grounded ingredient representation CHEBI:17712 and CAS 69-89-6. Generic trait observations named xanthine use CHEBI:15318. Preserve the native child-to-parent relation, not global exact equivalence. Standard InChI agreement does not establish a tautomer-pure reagent. Existing recipe references are retained; unqualified source observations do not acquire 9H specificity.
Synonyms (7)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2,6-dihydroxypurine | EXACT_SYNONYM | kg_microbe | |
| 2,6-dioxo-1,2,3,6-tetrahydropurine | EXACT_SYNONYM | kg_microbe | |
| 3,9-dihydro-1H-purine-2,6-dione | EXACT_SYNONYM | kg_microbe | |
| 9H-purine-2,6-(1H,3H)-dione | EXACT_SYNONYM | kg_microbe | |
| 9H-xanthine | EXACT_SYNONYM | kg_microbe | |
| Xan | EXACT_SYNONYM | kg_microbe | |
| purine-2(3H),6(1H)-dione | EXACT_SYNONYM | kg_microbe |
Chemical properties
- Cas rn
- 69-89-6
- Data source
- FEBA ontology enrichment (via PubChem)
- Retrieval date
- 2026-04-07T10:20:20.193647+00:00
- Molecular formula
- C5H4N4O2
- Inchi
- InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
- Smiles
- O=c1nc(=O)c2ncnc2n1
Evidence (2)
CAS_RN_CROSS_REFERENCE
via PubChem
ChEBI ID CHEBI:17712 found via PubChem CAS-RN cross-reference
CURATOR_JUDGMENT
via reports/sssom_completion_20260921/mapping_review/chemical-scope-review.md
Retain the existing CAS-grounded ingredient representation CHEBI:17712 and CAS 69-89-6. Generic trait observations named xanthine use CHEBI:15318. Preserve the native child-to-parent relation, not global exact equivalence. Standard InChI agreement does not establish a tautomer-pure reagent. Existing recipe references are retained; unqualified source observations do not acquire 9H specificity.
Occurrence statistics
- Total occurrences
- 21
- Distinct media
- 21
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-07T10:20:20.193637+00:00 | feba_ontology_enrichment_batch | CREATED | MAPPED | Created ingredient file from FEBA ontology enrichment batch with ChEBI ID CHEBI:17712 |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 7 synonyms from kg-microbe P4.4 enrichment: 2,6-dihydroxypurine, 2,6-dioxo-1,2,3,6-tetrahydropurine, 3,9-dihydro-1H-purine-2,6-dione, 9H-purine-2,6-(1H,3H)-dione, 9H-xanthine, ... (2 more) |
| 2026-05-01T07:35:36.905609+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.993208+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C5H4N4O2; inchi=InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H; smiles=O=c1nc(=O)c2ncnc2n1 | |
| 2026-05-02T03:12:19.260955+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-27T03:16:39.520156+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 16/16 -> 21/21 (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] | |
| 2026-09-23T19:20:33.158882+00:00 | kgmicrobe_scope_review LLM | CORRECTED | MAPPED | Retain the existing CAS-grounded ingredient representation CHEBI:17712 and CAS 69-89-6. Generic trait observations named xanthine use CHEBI:15318. Preserve the native child-to-parent relation, not global exact equivalence. Standard InChI agreement does not establish a tautomer-pure reagent. Existing recipe references are retained; unqualified source observations do not acquire 9H specificity. |