Butanol

CHEBI:28885 chemically defined MAPPED CHEBI CAS_RN_LOOKUP

Ontology mapping

Primary identifier
CHEBI:28885
Ontology label
butan-1-ol

Synonyms (1)

SynonymTypeSourceOccurrences
1-Butanol RAW_TEXT culturemech:output/ingredient_occurrences.tsv

Chemical properties

Cas rn
71-36-3
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:34:31.158938+00:00
Molecular formula
C4H10O
Inchi
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
Smiles
CCCCO

Evidence (1)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80metals.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=71-36-3; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref). FEBA/Hans80 panels: Hans80metals.
2026-05-01T07:35:32.461955+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:28.276813+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C4H10O; inchi=InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3; smiles=CCCCO
2026-05-02T03:12:12.903566+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
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 71-36-3 uniquely resolves by ChEBI xref to CHEBI:28885 'butan-1-ol'. 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.
2026-08-30T10:32:26.469831+00:00 claude_culturemech_alias_backfill ADDED_SYNONYMS Added 1 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: '1-Butanol' (x4 CultureMech mentions). Source: culturemech:output/ingredient_occurrences.tsv.