CHEBI:19591 - 2-hexenal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-hexenal
ChEBI ID CHEBI:19591
Definition A hexenal having the double bond at the 2-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H10O
Net Charge 0
Average Mass 98.14300
Monoisotopic Mass 98.07316
InChI InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
InChIKey MBDOYVRWFFCFHM-UHFFFAOYSA-N
SMILES [H]C(=O)C([H])=C([H])CCC
ChEBI Ontology
Outgoing 2-hexenal (CHEBI:19591) is a n-alk-2-enal (CHEBI:13757)
2-hexenal (CHEBI:19591) is a hexenal (CHEBI:24578)
Incoming (2E)-hexenal (CHEBI:28913) is a 2-hexenal (CHEBI:19591)
(2Z)-hexenal (CHEBI:18554) is a 2-hexenal (CHEBI:19591)
IUPAC Name
hex-2-enal
Synonyms Sources
2-hexenaldehyde ChEBI
3-propyl-acrolein ChEBI
α,β-hexylenaldehyde ChemIDplus
α.β-Hexylenaldehyd ChEBI
β-propylacrolein ChemIDplus
hexen-2-al ChEBI
hexen-2-en-1-al NIST Chemistry WebBook
hexylenic aldehyde ChemIDplus
leaf aldehyde ChemIDplus
Manual Xref Database
LMFA06000002 LIPID MAPS
View more database links
Registry Numbers Types Sources
1740988 Reaxys Registry Number Reaxys
505-57-7 CAS Registry Number NIST Chemistry WebBook
505-57-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20736172 PubMed citation Europe PMC
20936263 PubMed citation Europe PMC
26475511 PubMed citation Europe PMC
Last Modified
16 June 2017