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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:139347 -
all
-
trans
-4-oxoretinal
Main
ChEBI Ontology
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ChEBI Name
all
-
trans
-4-oxoretinal
ChEBI ID
CHEBI:139347
ChEBI ASCII Name
all-trans-4-oxoretinal
Definition
A retinoid that is
all
-
trans
-retinal carrying an oxo substituent at position 4 on the cyclohexenyl ring.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C20H26O2
Net Charge
0
Average Mass
298.420
Monoisotopic Mass
298.19328
InChI
InChI=1S/C20H26O2/c1-
15(7-
6-
8-
16(2)
12-
14-
21)
9-
10-
18-
17(3)
19(22)
11-
13-
20(18,4)
5/h6-
10,12,14H,11,13H2,1-
5H3/b8-
6+,10-
9+,15-
7+,16-
12+
InChIKey
PLILDISEFZJECC-RMWYGNQTSA-N
SMILES
C1(C)(C)C(\C=C\C(=C\C=C\C(=C\C(=O)[H])\C)\C)=C(C)C(CC1)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Xenopus
(NCBI:txid8353)
See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
all
-
trans
-4-oxoretinal (
CHEBI:139347
)
has functional parent
all
-
trans
-retinal (
CHEBI:17898
)
all
-
trans
-4-oxoretinal (
CHEBI:139347
)
has role
mouse metabolite (
CHEBI:75771
)
all
-
trans
-4-oxoretinal (
CHEBI:139347
)
is a
enal (
CHEBI:51688
)
all
-
trans
-4-oxoretinal (
CHEBI:139347
)
is a
enone (
CHEBI:51689
)
all
-
trans
-4-oxoretinal (
CHEBI:139347
)
is a
retinoid (
CHEBI:26537
)
IUPAC Name
(2
E
,4
E
,6
E
,8
E
)-
3,7-
dimethyl-
9-
(2,6,6-
trimethyl-
3-
oxocyclohex-
1-
en-
1-
yl)nona-
2,4,6,8-
tetraenal
Synonyms
Sources
4-ketoretinal
ChEBI
4-oxoretinal
ChEBI
4-Oxoretinaldehyde
ChemIDplus
all
-
trans
-4-ketoretinal
ChEBI
all
-
trans
-4-oxo-retinal
SUBMITTER
all
-
trans
-4-oxoretinal
UniProt
Registry Numbers
Types
Sources
2508352
Reaxys Registry Number
Reaxys
33532-44-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10415093
PubMed citation
Europe PMC
12528465
PubMed citation
Europe PMC
15369820
PubMed citation
SUBMITTER
1775535
PubMed citation
Europe PMC
17943179
PubMed citation
Europe PMC
8643496
PubMed citation
Europe PMC
Last Modified
11 June 2019