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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:29020 - neral
Main
ChEBI Ontology
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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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Molfile
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Molfile
Formula
C10H16O
Net Charge
0
Average Mass
152.23340
Monoisotopic Mass
152.12012
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
(2
Z
)-3,7-dimethylocta-2,6-dienal
Synonyms
Sources
cis-citral
ChEBI
cis-Citral
KEGG COMPOUND
citral B
ChEBI
Lemonal
HMDB
Neral
KEGG COMPOUND
neral
UniProt
Manual Xrefs
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
Types
Sources
15931590
PubMed citation
Europe PMC
21809949
PubMed citation
Europe PMC
23938144
PubMed citation
Europe PMC
24066512
PubMed citation
Europe PMC
Last Modified
18 June 2019