Ontology mapping
- Primary identifier
-
cas:100037-69-2
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
- 100037-69-2
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C16H33N4Na3O12S4
- Smiles
- C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].C1CN(CCN1CCS(=O)(=O)[O-])CCS(=O)(=O)[O-].[Na+].[Na+].[Na+]
- Inchi
- InChI=1S/2C8H18N2O6S2.3Na/c2*11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16;;;/h2*1-8H2,(H,11,12,13)(H,14,15,16);;;/q;;3*+1/p-3
- Pubchem cid
- 3086462
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 100037-69-2 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 67 CultureBot media; samples: Hans Basal Media plus 0.2x 20AA mix, R2A_PIPES, ShewMM…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
Occurrence statistics
- Total occurrences
- 36
- Distinct media
- 36
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:100037-69-2 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.674543+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:54:19.334251+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C16H33N4Na3O12S4; smiles=C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)[O-].C1CN(CCN1CCS; inchi=InChI=1S/2C8H18N2O6S2.3Na/c2*11-17(12,13)7-5-9-1-2 | |
| 2026-05-02T03:12:17.598421+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-03T02:06:01.746851+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 | |
| 2026-08-27T03:16:39.519660+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 67/67 -> 36/36 (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] |