4-Hydroxynonenal

CHEBI:58968 chemically defined MAPPED CHEBI CAS_RN_LOOKUP

Ontology mapping

Primary identifier
CHEBI:58968
Ontology label
(E)-4-hydroxynon-2-enal

Chemical properties

Cas rn
75899-68-2
Data source
CultureBotHT compounds_to_cas.csv; structure from chebi.db CHEBI:58968 (#312)
Retrieval date
2026-04-29T06:04:17.380972+00:00
Molecular formula
C9H16O2
Smiles
[H]C(=O)/C=C/C(O)CCCCC
Inchi
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
Pubchem cid
5283344

Evidence (2)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT.

MANUAL_CURATION via MIM curation (#312); chebi.db

identifier CHEBI:142593 -> CHEBI:58968; ontology CHEBI:142593 ('4-hydroxynonenal') -> CHEBI:58968 ('(E)-4-hydroxynon-2-enal'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:142593 '4-hydroxynonenal' is a class (definition: double bond 'at any position'; wildcard SMILES '*C([H])=O', which had been copied into the record; no InChIKey, no CAS). The record has carried CAS 75899-68-2 since creation; PubChem resolves it to CID 5283344 with InChIKey JVJFIQYAHPMBBX-FNORWQNLSA-N, which is CHEBI:58968 '(E)-4-hydroxynon-2-enal' (synonyms '4-hydroxynonenal', 'HNE'). Section 3 step 4's evidence hatch: the CAS picks the member. Structure fields refreshed from the term.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:04:17.380972+00:00 audit_integrate_culturebotht CREATED_FROM_CULTUREBOTHT MAPPED Created from CultureBotHT compounds_to_cas.csv (CAS=75899-68-2); Imported from CultureBotHT.
2026-05-01T07:35:31.892254+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (CHEBI primary)
2026-05-01T08:08:27.712527+00:00 auto_classify_ingredient_type AUTO_BACKFILL_CHEBI_CHEMISTRY molecular_formula=C9H16O2; smiles=*C([H])=O
2026-05-02T03:12:12.077193+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-09-23T00:44:54.402559+00:00 claude LLM REGROUNDED_IDENTITY MAPPED identifier CHEBI:142593 -> CHEBI:58968; ontology CHEBI:142593 ('4-hydroxynonenal') -> CHEBI:58968 ('(E)-4-hydroxynon-2-enal'); mapping_quality EXACT_MATCH -> CAS_RN_LOOKUP. CHEBI:142593 '4-hydroxynonenal' is a class (definition: double bond 'at any position'; wildcard SMILES '*C([H])=O', which had been copied into the record; no InChIKey, no CAS). The record has carried CAS 75899-68-2 since creation; PubChem resolves it to CID 5283344 with InChIKey JVJFIQYAHPMBBX-FNORWQNLSA-N, which is CHEBI:58968 '(E)-4-hydroxynon-2-enal' (synonyms '4-hydroxynonenal', 'HNE'). Section 3 step 4's evidence hatch: the CAS picks the member. Structure fields refreshed from the term. (#312)