Ontology mapping
- Primary identifier
-
CHEBI:39063 - Ontology label
- N-tris(hydroxymethyl)methylglycine
Physicochemical roles
- Role
- BUFFER
- 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.
Chemical properties
- Cas rn
- 5704-04-1
- Data source
- CultureBotHT compounds_to_cas.csv; structure from chebi.db CHEBI:39063 (#704)
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C6H13NO5
- Inchi
- InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
- Smiles
- O=C(O)CNC(CO)(CO)CO
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. Used in 10 CultureBot media; samples: MOPS Rich Defined media noCarbon, MOPS Rich Defined media_noCarbon, MOPS minimal media Glucose noNitrogen….
MANUAL_CURATION
via MIM curation (#704); chebi.db
identifier CHEBI:46760 -> CHEBI:39063; ontology 'tricine' -> 'N-tris(hydroxymethyl)methylglycine'; mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:46760 is a grouping class with a label and nothing else (no formula, InChIKey or definition); its children are the neutral CHEBI:39063, which owns the structure, the systematic names and the xref cas:5704-04-1 (the record's own CAS, on no other term), and the zwitterion CHEBI:46759. Section 3: the most specific stable identifier (#704).
Occurrence statistics
- Total occurrences
- 44
- Distinct media
- 44
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=5704-04-1); Imported from CultureBotHT. Used in 10 CultureBot media; samples: MOPS Rich Defined media noCarbon, MOPS Rich Defined media_noCarbon, MOPS minimal media Glucose noNitrogen…. |
| 2026-05-01T07:35:36.699915+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-02T03:12:18.970882+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-06-03T02:06:01.752992+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: BUFFER (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): BUFFER -> physicochemical_roles.BUFFER | |
| 2026-08-27T03:16:39.520003+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 10/10 -> 44/44 (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] | |
| 2026-09-24T07:48:22.788923+00:00 | claude LLM | REGROUNDED_IDENTITY | MAPPED | identifier CHEBI:46760 -> CHEBI:39063; ontology 'tricine' -> 'N-tris(hydroxymethyl)methylglycine'; mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:46760 is a grouping class with a label and nothing else (no formula, InChIKey or definition); its children are the neutral CHEBI:39063, which owns the structure, the systematic names and the xref cas:5704-04-1 (the record's own CAS, on no other term), and the zwitterion CHEBI:46759. Section 3: the most specific stable identifier (#704). (#704) |