Ontology mapping
- Primary identifier
-
CHEBI:18320 - Ontology label
- 1,4-dithiothreitol
Physicochemical roles
- Role
- REDUCING_AGENT
- 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 (22)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Properties: Defined component, Inorganic compound, Simple component | RAW_TEXT | CultureMech | |
| (R*,R*)-1,4-dimercapto-2,3-butanediol | EXACT_SYNONYM | kg_microbe | |
| Cleland's reagent | EXACT_SYNONYM | kg_microbe | |
| DTL | EXACT_SYNONYM | kg_microbe | |
| DTT | EXACT_SYNONYM | kg_microbe | |
| Dithiotreitol | EXACT_SYNONYM | kg_microbe | |
| rac-Dithiothreitol | EXACT_SYNONYM | kg_microbe | |
| rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol | EXACT_SYNONYM | kg_microbe | |
| Dithiothreitol | EXACT_SYNONYM | merged_from_duplicate_mim_record | |
| (100 mM solution) | RAW_TEXT | CultureMech | |
| DL-Dithiothreitol (DTT) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| 1,4--dithiothreitol (DTT) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| DTT (DL-Dithiothreitol) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| Dithiothreitol (0.25 M) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| Dithiothreitol (DTT) | RAW_TEXT | culturemech:output/ingredient_occurrences.tsv | |
| (2R,3R)-1,4-dimercaptobutane-2,3-diol | RAW_TEXT | sssom_other_backfill | |
| (2R,3R)-1,4-disulfanylbutane-2,3-diol | RAW_TEXT | sssom_other_backfill | |
| 2,3-DIHYDROXY-1,4-DITHIOBUTANE | RAW_TEXT | sssom_other_backfill | |
| L-1,4-dithiothreitol | RAW_TEXT | sssom_other_backfill | |
| L-DTT | RAW_TEXT | sssom_other_backfill | |
| L-dithiothreitol | RAW_TEXT | sssom_other_backfill | |
| L-threo-1,4-dimercapto-2,3-butanediol | RAW_TEXT | sssom_other_backfill |
Chemical properties
- Cas rn
- 3483-12-3
- Data source
- OAK/CHEBI xref
- Retrieval date
- 2026-04-19T07:39:40.088267+00:00
- Molecular formula
- C4H10O2S2
- Inchi
- InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
- Smiles
- OC(CS)C(O)CS
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 121
- Distinct media
- 121
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:51:54.017488+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:3483-12-3 from PubChem API via name lookup (Dithiothreitol) |
| 2026-04-05T21:48:45.040679+00:00 | fetch_cas_rn_from_culturebot_csv | ADDED_CAS_RN | MAPPED | Added CAS-RN:3483-12-3 from CultureBotHT compounds_to_cas.csv (matched: DTT) |
| 2026-04-09T00:32:50.689620+00:00 | enrich_mim_cas_rn_batch | CAS_RN_ADDED | MAPPED | Added CAS-RN 7634-42-6 from PubChem (via CHEBI:18320) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 7 synonyms from kg-microbe P4.4 enrichment: (R*,R*)-1,4-dimercapto-2,3-butanediol, Cleland's reagent, DTL, DTT, Dithiotreitol, ... (2 more) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 6 synonyms from kg-microbe P4.4 enrichment: (R*,R*)-1,4-dimercapto-2,3-butanediol, Cleland's reagent, DTL, Dithiotreitol, rac-Dithiothreitol, ... (1 more) |
| 2026-04-19T07:39:40.088622+00:00 | audit_mim_merge | MERGED_FROM_DUPLICATES | MAPPED | Absorbed 2 duplicate MIM record(s) into this one: Dithiothreitol.yaml, Dtt.yaml. Synonyms, curation_history, and occurrence counts were unioned/summed; winner selected by highest occurrence count with preferred_term readability tie-break. |
| 2026-04-19T07:39:40.088267+00:00 | audit_resolve_risky_cas_rn | RESOLVED_CAS_RN_CONFLICT | MAPPED | CAS-RN conflict across merged group (3483-12-3|7634-42-6) resolved via OAK canonical xref: 3483-12-3 (match) |
| 2026-05-01T07:35:33.349640+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:29.320002+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C4H10O2S2; inchi=InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2; smiles=OC(CS)C(O)CS | |
| 2026-05-02T03:12:14.128265+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-02T07:05:13.388708+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: REDUCING_AGENT (confidence: 0.80) | |
| 2026-06-09T05:23:46.758100+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'DL-Dithiothreitol' -> '1,4-dithiothreitol': synced to canonical CHEBI label (preferred_term 'DL-Dithiothreitol' unchanged). | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): REDUCING_AGENT -> physicochemical_roles.REDUCING_AGENT | |
| 2026-08-10T00:00:00+00:00 | regrade_synonym_matches | REGRADED_EXACT_TO_SYNONYM | mapping_quality EXACT_MATCH -> SYNONYM_MATCH (#317). The record's label does not equal the term's primary label '1,4-dithiothreitol'; it matches the ChEBI synonym "Cleland's reagent" on CHEBI:18320. The schema defines EXACT_MATCH as a direct match to the term and SYNONYM_MATCH as a match to a known synonym, so the recorded grade overstated. ontology_id is unchanged — the term is correct. The SSSOM predicate is unaffected (both grades emit skos:exactMatch). | |
| 2026-08-27T03:16:39.518766+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 56/56 -> 121/121 (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] | |
| 2026-08-30T04:48:06.233536+00:00 | claude_culturemech_alias_backfill | ADDED_SYNONYMS | Added 5 CultureMech recipe surface form(s) that folded onto this record's published label but were absent from MIM's label index, so CultureMech could not resolve them: 'DL-Dithiothreitol (DTT)' (x2 CultureMech mentions); '1,4--dithiothreitol (DTT)' (x1 CultureMech mentions); 'DTT (DL-Dithiothreitol)' (x1 CultureMech mentions); 'Dithiothreitol (0.25 M)' (x1 CultureMech mentions); 'Dithiothreitol (DTT)' (x1 CultureMech mentions). Source: culturemech:output/ingredient_occurrences.tsv. | |
| 2026-09-02T17:40:44.716277+00:00 | claude_sssom_surface_form_backfill | ADDED_SYNONYMS | Recovered 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '(2R,3R)-1,4-dimercaptobutane-2,3-diol'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). | |
| 2026-09-02T22:41:49.137449+00:00 | claude_sssom_surface_form_backfill | ADDED_SYNONYMS | Recovered 6 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '(2R,3R)-1,4-disulfanylbutane-2,3-diol'; '2,3-DIHYDROXY-1,4-DITHIOBUTANE'; 'L-1,4-dithiothreitol'; 'L-DTT'; 'L-dithiothreitol'; 'L-threo-1,4-dimercapto-2,3-butanediol'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). |