Ontology mapping
- Primary identifier
-
CHEBI:18397
Synonyms (3)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2-phenylethanamine | EXACT_SYNONYM | chebi_synonym_review | |
| Phenethylamine Hydrochloride | RAW_TEXT | relabelled | |
| Beta-phenylethylamine | RAW_TEXT | microbedecoder |
Chemical properties
- Cas rn
- 64-04-0
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:34:31.158938+00:00
- Molecular formula
- C8H11N
- Inchi
- InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
- Smiles
- NCCc1ccccc1
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:34:31.158938+00:00 | audit_cas_chebi_followup | CREATED_FROM_CAS_LOOKUP | MAPPED | Created from CultureBotHT CAS-RN=64-04-0; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). |
| 2026-05-01T07:35:35.752056+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:31.863474+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C8H11N; inchi=InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2; smiles=NCCc1ccccc1 | |
| 2026-05-02T03:12:17.709012+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-08-05T04:22:55.108064+00:00 | salt-hydrate-identity-fix LLM | RELABELLED | preferred_term 'Phenethylamine Hydrochloride' -> '2-phenylethylamine'; old name kept as a RAW_TEXT synonym. ChEBI has no phenethylamine hydrochloride term (the only C8H11N.HCl is CHEBI:191064, N-methylbenzylamine HCl). The record carries cas 64-04-0 from CultureBotHT, which is the free base and is ChEBI's own xref for CHEBI:18397. Renaming keeps the exactMatch honest; the salt name survives as a synonym. Note the CultureBotHT pairing could equally be a CAS-lookup error on a salt catalogue name — recorded in #235. | |
| 2026-08-05T04:25:55.473460+00:00 | salt-hydrate-identity-fix LLM | MERGED_FROM_UNMAPPED_DUPLICATE | Absorbed UNMAPPED_0707 'Beta-phenylethylamine' as a RAW_TEXT synonym -- 'beta-Phenylethylamine' and 'beta-phenethylamine' are ChEBI synonyms of CHEBI:18397; held back from #227 until the record stopped claiming to be the hydrochloride. No new SSSOM row; CHEBI:18397 is already mapped. Source: kgmicrobe.trait:beta_phenylethylamine. | |
| 2026-08-24T00:00:00+00:00 | regrade_synonym_matches | REGRADED_TO_CAS_RN_LOOKUP | mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP (#317). The record was created by an explicit CAS-to-ChEBI lookup and its current CAS RN 64-04-0 uniquely resolves by ChEBI xref to CHEBI:18397 '2-phenylethylamine'. CAS_RN_LOOKUP records the method that established this mapping; a lexical grade would discard that provenance. ontology_id is unchanged. The own-identifier SSSOM predicate remains skos:exactMatch under Rule D (#438), independently of mapping quality. |