EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61748 - (E)-oct-2-enal

ChEBI IDCHEBI:61748
ChEBI Name(E)-oct-2-enal
Stars
ASCII Name(E)-oct-2-enal
DefinitionThe (E)-isomer of oct-2-enal.
Last Modified26 July 2023
Submitterzjosephs
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILES[H]C(=O)/C=C/CCCCC
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChIKeyLVBXEMGDVWVTGY-VOTSOKGWSA-N
Roles Classification
Biological Roles:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
(E)-oct-2-enal (CHEBI:61748) has role antifungal agent (CHEBI:35718)
(E)-oct-2-enal (CHEBI:61748) has role volatile oil component (CHEBI:27311)
(E)-oct-2-enal (CHEBI:61748) is a oct-2-enal (CHEBI:61725)
IUPAC Name 
(2E)-oct-2-enal
Synonyms  Source
trans-octen-2-alChEBI
trans-oct-2-enalChEBI
octene-1-oxideChEBI
2-trans-octenalChEBI
trans-2-OctenalChemIDplus
trans-2-Octen-1-alChemIDplus
UniProt Name  Source
(2E)-octenalUniProt
Manual XrefsDatabases
HMDB0013809HMDB
Registry NumbersSources
Reaxys:1702427Reaxys
CAS:2548-87-0ChemIDplus
CAS:2548-87-0NIST Chemistry WebBook
Citations