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ChEBI
> Main
CHEBI:142840 - deoxyaureothin
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ChEBI Ontology
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ChEBI Name
deoxyaureothin
ChEBI ID
CHEBI:142840
Definition
A 4-pyranone that is 2-methoxy-3,5-dimethyl-4
H
-pyran-4-one which is substituted at position 6 by a 2,4-dimethyl-1-(
p
-nitrophenyl)hexa-1,3-dien-6-yl group (the
E
,
E
isomer).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
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Molfile
Molfile
Formula
C22H25NO5
Net Charge
0
Average Mass
383.444
Monoisotopic Mass
383.17327
InChI
InChI=1S/C22H25NO5/c1-
14(6-
11-
20-
16(3)
21(24)
17(4)
22(27-
5)
28-
20)
12-
15(2)
13-
18-
7-
9-
19(10-
8-
18)
23(25)
26/h7-
10,12-
13H,6,11H2,1-
5H3/b14-
12+,15-
13+
InChIKey
QJCZWAGFDPHLHZ-QUMQEAAQSA-N
SMILES
C1=CC(=CC=C1/C=C(/C=C(/CCC2=C(C(C(=C(O2)OC)C)=O)C)\C)\C)[N+]([O-])=O
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
deoxyaureothin (
CHEBI:142840
)
has role
bacterial metabolite (
CHEBI:76969
)
deoxyaureothin (
CHEBI:142840
)
is a
4-pyranones (
CHEBI:131906
)
deoxyaureothin (
CHEBI:142840
)
is a
C
-nitro compound (
CHEBI:35716
)
deoxyaureothin (
CHEBI:142840
)
is a
ketene acetal (
CHEBI:145408
)
deoxyaureothin (
CHEBI:142840
)
is a
olefinic compound (
CHEBI:78840
)
deoxyaureothin (
CHEBI:142840
)
is a
polyketide (
CHEBI:26188
)
Incoming
aureothin (
CHEBI:80024
)
has functional parent
deoxyaureothin (
CHEBI:142840
)
IUPAC Name
2-
[(3
E
,5
E
)-
3,5-
dimethyl-
6-
(4-
nitrophenyl)hexa-
3,5-
dien-
1-
yl]-
6-
methoxy-
3,5-
dimethyl-
4
H
-
pyran-
4-
one
Synonyms
Sources
luteothin
KEGG COMPOUND
luteothin
UniProt
Manual Xrefs
Databases
C22079
KEGG COMPOUND
CPD-21800
MetaCyc
View more database links
Citations
Types
Sources
15612710
PubMed citation
SUBMITTER
21280577
PubMed citation
Europe PMC
27559404
PubMed citation
Europe PMC
7763486
PubMed citation
SUBMITTER
Last Modified
18 November 2019