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> Main
CHEBI:131528 - aurachin B
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ChEBI Name
aurachin B
ChEBI ID
CHEBI:131528
Definition
An A-type aurachin that is quinoline
N
-oxide which is substituted by a methyl group at position 2, a hydroxy group at position 3, and a triprenyl group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H33NO2
Net Charge
0
Average Mass
379.536
Monoisotopic Mass
379.25113
InChI
InChI=1S/C25H33NO2/c1-
18(2)
10-
8-
11-
19(3)
12-
9-
13-
20(4)
16-
17-
23-
22-
14-
6-
7-
15-
24(22)
26(28)
21(5)
25(23)
27/h6-
7,10,12,14-
16,27H,8-
9,11,13,17H2,1-
5H3/b19-
12+,20-
16+
InChIKey
ZNSLRZHNFFXDSE-YEFHWUCQSA-N
SMILES
C1=CC2=C(C=C1)[N+](=C(C(=C2C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C)[O-]
Metabolite of Species
Details
Stigmatella aurantiaca Sg a15
(NCBI:txid675526)
of strain Sg a15 See:
PubMed
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
aurachin B (
CHEBI:131528
)
has role
bacterial metabolite (
CHEBI:76969
)
aurachin B (
CHEBI:131528
)
is a
A-type aurachin (
CHEBI:90917
)
aurachin B (
CHEBI:131528
)
is a
heteroaryl hydroxy compound (
CHEBI:74818
)
aurachin B (
CHEBI:131528
)
is a
olefinic compound (
CHEBI:78840
)
aurachin B (
CHEBI:131528
)
is a
quinoline
N
-oxide (
CHEBI:26508
)
aurachin B (
CHEBI:131528
)
is conjugate acid of
aurachin B(1−) (
CHEBI:90784
)
Incoming
aurachin B(1−) (
CHEBI:90784
)
is conjugate base of
aurachin B (
CHEBI:131528
)
IUPAC Name
2-
methyl-
1-
oxo-
4-
[(2
E
,6
E
)-
3,7,11-
trimethyldodeca-
2,6,10-
trien-
1-
yl]-
1λ
5
-
quinolin-
3-
ol
Synonym
Source
Aurachin B
KNApSAcK
Manual Xrefs
Databases
C00017846
KNApSAcK
CPD-15910
MetaCyc
View more database links
Registry Numbers
Types
Sources
108354-12-7
CAS Registry Number
ChemIDplus
108354-12-7
CAS Registry Number
KNApSAcK
Citations
Types
Sources
21979787
PubMed citation
Europe PMC
22907798
PubMed citation
Europe PMC
25209961
PubMed citation
Europe PMC
3106289
PubMed citation
Europe PMC
Last Modified
21 August 2023