Trans-2-methyl-2-butenoic acid

CHEBI:9592 chemically defined MAPPED CHEBI CAS_RN_LOOKUP

Ontology mapping

Primary identifier
CHEBI:9592
Ontology label
tiglic acid

Synonyms (1)

SynonymTypeSourceOccurrences
(2E)-2-methylbut-2-enoic acid EXACT_SYNONYM chebi_synonym_review

Chemical properties

Cas rn
80-59-1
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:34:31.158938+00:00
Molecular formula
C5H8O2
Inchi
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
Smiles
[H]/C(C)=C(/C)C(=O)O

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

TimestampCuratorActionNew statusChanges
2026-04-29T06:34:31.158938+00:00 audit_cas_chebi_followup CREATED_FROM_CAS_LOOKUP MAPPED Created from CultureBotHT CAS-RN=80-59-1; CHEBI resolved via OAK CHEBI sqlite (cas xref); Imported from CultureBotHT. CAS-RN→CHEBI mapping resolved via OAK CHEBI sqlite (cas xref).
2026-05-01T07:35:36.671409+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:32.751520+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C5H8O2; inchi=InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b; smiles=[H]/C(C)=C(/C)C(=O)O
2026-05-02T03:12:18.931447+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 80-59-1 uniquely resolves by ChEBI xref to CHEBI:9592 'tiglic acid'. 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.