Ontology mapping
- Primary identifier
-
cas:91000-53-2 - Ontology term
-
CHEBI:191055— N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid - Ontology label
- N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid
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.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| TAPS | EXACT_SYNONYM | culturebotht |
Chemical properties
- Cas rn
- 91000-53-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C7H16NNaO6S
- Smiles
- C(CNC(CO)(CO)CO)CS(=O)(=O)[O-].[Na+]
- Inchi
- InChI=1S/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14;/h8-11H,1-6H2,(H,12,13,14);/q;+1/p-1
- Pubchem cid
- 23667519
Evidence (3)
Imported from CultureBotHT. CAS-RN 91000-53-2 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 6 CultureBot media; samples: RCH2 defined TAPS, MTM noNitrogen noCarbon, RCH2 defined glucose TAPS…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
Parent class identified via stem-substring; matched_via='TAPS sodium salt'
narrowMatch parent CHEBI:26714 ('sodium salt') -> CHEBI:191055 ('N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid'). The previous parent was the class of all sodium salts: it retained the counterion and discarded the compound, collapsing unrelated ingredients onto one node. Chosen because it is the systematic name of TAPS. The record stays cas-primary per MAPPING_SEMANTICS §3 step 2; only the parent moves.
Occurrence statistics
- Total occurrences
- 8
- Distinct media
- 8
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:91000-53-2 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.536661+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:40.551451+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C7H16NNaO6S; smiles=C(CNC(CO)(CO)CO)CS(=O)(=O)[O-].[Na+]; inchi=InChI=1S/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15( | |
| 2026-05-02T03:12:18.742179+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T05:03:08.549623+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:26714 (stem-substring) | |
| 2026-06-03T02:06:01.752095+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 | |
| 2026-08-13T00:00:00+00:00 | reground_compositional_classes | REGROUNDED_PARENT_TERM | ontology_mapping CHEBI:26714 'sodium salt' -> CHEBI:191055 'N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid' (#322); the systematic name of TAPS. | |
| 2026-08-27T03:16:39.519937+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 6/6 -> 8/8 (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] |