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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:16980 - geranial
Main
ChEBI Ontology
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ChEBI Name
geranial
ChEBI ID
CHEBI:16980
Definition
A monoterpenoid that is (2
E
,6
E
)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5327, CHEBI:14296, CHEBI:24218
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-JXMROGBWSA-N
SMILES
CC(C)=CCC\C(C)=C\C=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
geranial (
CHEBI:16980
)
has role
plant metabolite (
CHEBI:76924
)
geranial (
CHEBI:16980
)
has role
volatile oil component (
CHEBI:27311
)
geranial (
CHEBI:16980
)
is a
enal (
CHEBI:51688
)
geranial (
CHEBI:16980
)
is a
monoterpenoid (
CHEBI:25409
)
geranial (
CHEBI:16980
)
is a
polyprenal (
CHEBI:137934
)
Incoming
2,3-epoxygerianial (
CHEBI:67258
)
has functional parent
geranial (
CHEBI:16980
)
citral (
CHEBI:23316
)
has part
geranial (
CHEBI:16980
)
IUPAC Name
(2
E
)-3,7-dimethylocta-2,6-dienal
Synonyms
Sources
(2
E
)-geranial
UniProt
(E)-Citral
ChemIDplus
(E)-Geranial
ChemIDplus
alpha-Citral
ChemIDplus
citral A
ChEBI
Geranial
KEGG COMPOUND
lemonal
ChEBI
neral
ChEBI
trans-Citral
KEGG COMPOUND
Manual Xrefs
Databases
C00003035
KNApSAcK
C01499
KEGG COMPOUND
GERANIAL
MetaCyc
HMDB0035078
HMDB
LMPR0102010003
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
141-27-5
CAS Registry Number
KEGG COMPOUND
141-27-5
CAS Registry Number
ChemIDplus
1721873
Reaxys Registry Number
Reaxys
5392-40-5
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
23938144
PubMed citation
Europe PMC
24682420
PubMed citation
Europe PMC
Last Modified
28 October 2020