CHEBI:29020 - neral

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ChEBI Name neral
ChEBI ID CHEBI:29020
Definition An enal that is 3,7-dimethyloctanal with unsaturation at positions C-2 and C-6. It has been isolated form the essential oils of plant species like lemon.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10483, CHEBI:25502
Supplier Information
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Formula C10H16O
Net Charge 0
Average Mass 152.23340
Monoisotopic Mass 152.120
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
InChIKey WTEVQBCEXWBHNA-YFHOEESVSA-N
SMILES CC(C)=CCC\C(C)=C/C=O
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing neral (CHEBI:29020) has role apoptosis inducer (CHEBI:68495)
neral (CHEBI:29020) has role plant metabolite (CHEBI:76924)
neral (CHEBI:29020) is a enal (CHEBI:51688)
neral (CHEBI:29020) is a monoterpenoid (CHEBI:25409)
Incoming citral (CHEBI:23316) has part neral (CHEBI:29020)
IUPAC Name
(2Z)-3,7-dimethylocta-2,6-dienal
Synonyms Sources
cis-citral ChEBI
cis-Citral KEGG COMPOUND
citral B ChEBI
Lemonal HMDB
Neral KEGG COMPOUND
Database Links Databases
C00003036 KNApSAcK
C09847 KEGG COMPOUND
CPD-9762 MetaCyc
HMDB0035092 HMDB
LMPR0102010006 LIPID MAPS
View more database links
Registry Numbers Types Sources
106-26-3 CAS Registry Number KEGG COMPOUND
106-26-3 CAS Registry Number ChemIDplus
1721872 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15931590 PubMed citation Europe PMC
21809949 PubMed citation Europe PMC
23938144 PubMed citation Europe PMC
24066512 PubMed citation Europe PMC
Last Modified
28 July 2014