Ontology mapping
- Primary identifier
-
cas:15467-20-6 - Ontology term
-
CHEBI:44557— nitrilotriacetic acid - Ontology label
- nitrilotriacetic acid
Physicochemical roles
- Role
- CHELATOR
- 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 (2)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| ( disodium salt) | RAW_TEXT | sssom_other_backfill | |
| ( trisodium salt) | RAW_TEXT | sssom_other_backfill |
Rejected enrichment labels (1)
Provenance-only candidates: these are not synonyms and do not resolve to this record.
| Rejected label | Disposition | Source | Occurrences |
|---|---|---|---|
| N,N-bis(carboxymethyl)glycine | REJECTED_LABEL | chebi_synonym_review |
Chemical properties
- Cas rn
- 15467-20-6
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C6H7NNa2O6
- Inchi
- InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
- Smiles
- O=C(O)CN(CC(=O)O)CC(=O)O
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 15467-20-6 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 9 CultureBot media; samples: Hans Basal Media plus 0.2x 20AA mix, Hans Basal Media, Hans Basal Media bicarb…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via CHEBI via OLS (stem-substring)
Parent class identified via stem-substring; matched_via='Nitrilotriacetic acid disodium salt'
Occurrence statistics
- Total occurrences
- 7
- Distinct media
- 7
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:15467-20-6 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:35.588416+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T03:12:17.482466+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T04:54:08.280661+00:00 | backfill_parent_terms | BACKFILL_PARENT_CHEBI | set ontology_mapping parent=CHEBI:44557 (stem-substring) | |
| 2026-05-02T23:59:52.285553+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C6H9NO6; inchi=InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1; smiles=O=C(O)CN(CC(=O)O)CC(=O)O | |
| 2026-06-02T07:05:13.392110+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: CHELATOR (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): CHELATOR -> physicochemical_roles.CHELATOR | |
| 2026-08-13T00:00:00+00:00 | fix_parent_inherited_formulas | CORRECTED_INHERITED_FORMULA | molecular_formula 'C6H9NO6' -> 'C6H7NNa2O6' (#326). The recorded value was identical to the narrowMatch parent's, so it described the parent rather than this salt/hydrate. Corrected from the record's own CAS 15467-20-6, which resolves in PubChem to 'Disodium nitrilotriacetate' — provenance independent of the ChEBI mapping under test, per MAPPING_SEMANTICS §3. The narrowMatch itself is correct and is unchanged. | |
| 2026-08-27T03:16:39.519635+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 9/9 -> 7/7 (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] | |
| 2026-09-02T17:40:44.716277+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: '( disodium salt)'. 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 1 surface form(s) that the published SSSOM `other` carried but no curated record did, so a rebuild would have dropped them from KGX: '( trisodium salt)'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). | |
| 2026-09-22T20:41:14.285965+00:00 | claude LLM | REJECTED_PARENT_NAME_SYNONYMS | Retyped names of the parent compound or of a different hydrate as provenance-only REJECTED_LABEL, because this record is a distinct salt, hydrate or tombstone form and the label index resolved the parent's name here (#232): 'N,N-bis(carboxymethyl)glycine'. Preserved original text and source metadata. No identity, mapping, role, or remaining-synonym claim was adjudicated. |