CHEBI:133787 - pyranonigrin E

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ChEBI Name pyranonigrin E
ChEBI ID CHEBI:133787
Definition A member of the class of pyranopyrroles with formula C18H21NO4, originally isolated from Aspergillus niger.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information
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Formula C18H21NO4
Net Charge 0
Average Mass 315.364
Monoisotopic Mass 315.14706
InChI InChI=1S/C18H21NO4/c1-4-5-6-7-8-9-10-11-13-15(20)16(21)14-17(23-13)12(2)19(3)18(14)22/h8-11,20H,2,4-7H2,1,3H3/b9-8+,11-10+
InChIKey ITJJIMKGOLMIJY-BNFZFUHLSA-N
SMILES C1(C2=C(OC(=C1O)/C=C/C=C/CCCCC)C(N(C2=O)C)=C)=O
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) of strain AnKW2 See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pyranonigrin E (CHEBI:133787) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin E (CHEBI:133787) has role marine metabolite (CHEBI:76507)
pyranonigrin E (CHEBI:133787) is a γ-lactam (CHEBI:74222)
pyranonigrin E (CHEBI:133787) is a cyclic ketone (CHEBI:3992)
pyranonigrin E (CHEBI:133787) is a enol (CHEBI:33823)
pyranonigrin E (CHEBI:133787) is a pyranopyrrole (CHEBI:133874)
IUPAC Name
3-hydroxy-6-methyl-7-methylidene-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Registry Number Type Source
27553302 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
24084681 PubMed citation Europe PMC
24106156 PubMed citation Europe PMC
Last Modified
01 November 2016