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CHEBI:29020 - neral

ChEBI IDCHEBI:29020
ChEBI Nameneral
Stars
DefinitionAn 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.
Secondary ChEBI IDsCHEBI:10483, CHEBI:25502
Last Modified18 June 2019
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC(C)=CCC/C(C)=C\C=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
InChIKeyWTEVQBCEXWBHNA-YFHOEESVSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
citral (CHEBI:23316) has part neral (CHEBI:29020)
IUPAC Name 
(2Z)-3,7-dimethylocta-2,6-dienal
Synonyms  Source
cis-CitralKEGG COMPOUND
NeralKEGG COMPOUND
cis-citralChEBI
citral BChEBI
LemonalHMDB
UniProt Name  Source
neralUniProt
Manual XrefsDatabases
C09847KEGG COMPOUND
LMPR0102010006LIPID MAPS
CPD-9762MetaCyc
HMDB0035092HMDB
C00003036KNApSAcK
Registry NumbersSources
Reaxys:1721872Reaxys
CAS:106-26-3KEGG COMPOUND
CAS:106-26-3ChemIDplus
Citations