Ontology mapping
- Primary identifier
-
CHEBI:132109 - Ontology label
- sodium octadecanoate
Physicochemical roles
- Role
- SURFACTANT
- Confidence
- 0.7
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from CHEBI ancestry: subclass/has_role of CHEBI:35195 (surfactant (role))
- Curator note
- Provisional role inferred from CHEBI is_a/has_role closure; review recommended.
Synonyms (4)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| Octadecanoic acid, sodium salt | EXACT_SYNONYM | kg_microbe | |
| Stearic acid, sodium salt | EXACT_SYNONYM | kg_microbe | |
| sodium octadecanoate | EXACT_SYNONYM | kg_microbe | |
| sodium stearate | EXACT_SYNONYM | kg_microbe |
Chemical properties
- Cas rn
- 822-16-2
- Data source
- PubChem API (preprocessed)
- Retrieval date
- 2026-04-05T23:45:43.617344+00:00
- Molecular formula
- C18H35O2.Na
- Inchi
- InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
- Smiles
- CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 3
- Distinct media
- 3
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 |
| 2026-04-05T23:45:43.617355+00:00 | fetch_cas_rn_with_preprocessing | ADDED_CAS_RN | MAPPED | Added CAS-RN:822-16-2 from PubChem API (preprocessed) via name preprocessing (Na-stearate) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 4 synonyms from kg-microbe P4.4 enrichment: Octadecanoic acid, sodium salt, Stearic acid, sodium salt, sodium octadecanoate, sodium stearate |
| 2026-05-01T07:35:35.068762+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:31.132225+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C18H35O2.Na; inchi=InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-1; smiles=CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+] | |
| 2026-05-02T03:12:16.860196+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T05:23:46.804806+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Na-stearate' -> 'sodium octadecanoate': synced to canonical CHEBI label (preferred_term 'Na-stearate' unchanged). | |
| 2026-06-14T06:54:43.189357+00:00 | infer_roles_from_chebi_ancestry | ANNOTATED | Added media role: SURFACTANT (confidence: 0.70) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): SURFACTANT -> physicochemical_roles.SURFACTANT | |
| 2026-08-27T03:16:39.519425+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 2/2 -> 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] |