Ontology mapping
- Primary identifier
-
cas:13235-36-4 - Ontology term
-
CHEBI:4735— ethylenediaminetetraacetic acid - Ontology label
- ethylenediaminetetraacetic 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 (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Ethylenediamintetraacetic acid (EDTA) | RAW_TEXT | sssom_other_backfill |
Chemical properties
- Cas rn
- 13235-36-4
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C10H20N2Na4O12
- Smiles
- C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Na+].[Na+].[Na+].[Na+]
- Inchi
- InChI=1S/C10H16N2O8.4Na.4H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;4*1H2/q;4*+1;;;;/p-4
- Pubchem cid
- 23287279
Evidence (3)
Imported from CultureBotHT. CAS-RN 13235-36-4 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Used in 4 CultureBot media; samples: MME noCarbon, MTM noNitrogen noCarbon, MME noNitrogen noCarbon…. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
EDTA tetrasodium tetrahydrate salt is a hydrate/salt with its own CAS and no exact ChEBI term; anchored to the parent CHEBI:4735 'ethylenediaminetetraacetic acid' by narrowMatch per MAPPING_SEMANTICS.md Section 3 step 2. tetrasodium tetrahydrate salt of EDTA
mapping_quality NARROW_MATCH -> CLOSE_MATCH, predicate skos:narrowMatch -> skos:closeMatch. narrowMatch asserts this record is *narrower in meaning* than CHEBI:4735 ('ethylenediaminetetraacetic acid') — a subsumption ChEBI itself denies: it files hydrates under CHEBI:35505 'hydrate', never under the anhydrous compound, which is not an ancestor even transitively. A hydrate is a distinct substance containing the anhydrous form, not a specialization of it. closeMatch claims similarity without subsumption. The ontology_id and the record's own identifier are unchanged.
Occurrence statistics
- Total occurrences
- 3
- Distinct media
- 3
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:13235-36-4 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:33.405364+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:52:58.563603+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C10H20N2Na4O12; smiles=C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-]; inchi=InChI=1S/C10H16N2O8.4Na.4H2O/c13-7(14)3-11(4-8(15) | |
| 2026-05-02T03:12:14.202410+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-02T07:05:13.388818+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 | |
| 2026-08-05T18:02:35.008352+00:00 | anchor_cas_hydrate_records LLM | CORRECTED | Added Section 3 anchor rows: narrowMatch CHEBI:4735 'ethylenediaminetetraacetic acid' and registry kgmicrobe.compound:edta_tetrasodium_tetrahydrate_salt. identifier cas:13235-36-4 unchanged; mapping_quality FALLBACK_REGISTRY -> NARROW_MATCH. tetrasodium tetrahydrate salt of EDTA | |
| 2026-08-13T00:00:00+00:00 | regrade_hydrate_to_close_match | REGRADED_HYDRATE_TO_CLOSE_MATCH | mapping_quality NARROW_MATCH -> CLOSE_MATCH (#342); a hydrate is not subsumed by its anhydrous form, and ChEBI does not model it as such. | |
| 2026-08-27T03:16:39.518785+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 4/4 -> 3/3 (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] | |
| 2026-09-02T22:41:49.137449+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: 'Ethylenediamintetraacetic acid (EDTA)'. Tokens already present on the kg-microbe ontology node were left out as redundant (#520). |