CHEBI:167213 - fumisoquin C

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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.
Supplier Information
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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 (Bronsted 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
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1,2,3,4,7,10-hexahydrobenzo[c][1,5]naphthyridine-2-carboxylic acid
Synonym Source
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1H,2H,3H,4H,7H,10H-cyclohexa[c]1,5-naphthyridine-2-carboxylic acid IUPAC
Manual Xref Database
C00051875 KNApSAcK
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Citations Waiting for Citations Types Sources
27065235 PubMed citation Europe PMC
32752070 PubMed citation Europe PMC
Last Modified
21 January 2021