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ChEBI
> Main
CHEBI:167213 - fumisoquin C
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ChEBI Ontology
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ChEBI Name
fumisoquin C
ChEBI ID
CHEBI:167213
Definition
An isoquinoline alkaloid produced by a biosynthetic gene cluster called
fsq
in the human pathogen
Aspergillus fumigatus
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H10N2O6
Net Charge
0
Average Mass
290.231
Monoisotopic Mass
290.05389
InChI
InChI=1S/C13H10N2O6/c16-
6-
2-
8(18)
12(19)
4-
3-
14-
10-
7(17)
1-
5(13(20)
21)
15-
11(10)
9(4)
6/h2-
3,5,7,15,17-
18H,1H2,(H,20,21)
/t5-
,7-
/m0/s1
InChIKey
OXRREVNRXZHHAX-FSPLSTOPSA-N
SMILES
[H][C@]1(C[C@H](O)C2=NC=C3C(=O)C(O)=CC(=O)C3=C2N1)C(O)=O
Metabolite of Species
Details
Aspergillus fumigatus
(NCBI:txid746128)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
fumisoquin C (
CHEBI:167213
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
fumisoquin C (
CHEBI:167213
)
is a
diol (
CHEBI:23824
)
fumisoquin C (
CHEBI:167213
)
is a
isoquinoline alkaloid (
CHEBI:24921
)
fumisoquin C (
CHEBI:167213
)
is a
monocarboxylic acid (
CHEBI:25384
)
fumisoquin C (
CHEBI:167213
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
fumisoquin C (
CHEBI:167213
)
is conjugate acid of
fumisoquin C(1−) (
CHEBI:167201
)
Incoming
fumisoquin C(1−) (
CHEBI:167201
)
is conjugate base of
fumisoquin C (
CHEBI:167213
)
IUPAC Name
(2
S
,4
S
)-
4,8-
dihydroxy-
7,10-
dioxo-
1,2,3,4,7,10-
hexahydrobenzo[
c
][1,5]naphthyridine-
2-
carboxylic acid
Synonym
Source
(2
S
,4
S
)-
4,8-
dihydroxy-
7,10-
dioxo-
1
H
,2
H
,3
H
,4
H
,7
H
,10
H
-
cyclohexa[
c
]1,5-
naphthyridine-
2-
carboxylic acid
IUPAC
Manual Xref
Database
C00051875
KNApSAcK
View more database links
Citations
Types
Sources
27065235
PubMed citation
Europe PMC
32752070
PubMed citation
Europe PMC
Last Modified
21 January 2021