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CHEBI:133789 - pyranonigrin K

ChEBI IDCHEBI:133789
ChEBI Namepyranonigrin K
Stars
DefinitionA member of the class of pyranopyrroles with formula C17H21NO4, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC17H21NO4
Net Charge0
Average Mass303.358
Monoisotopic Mass303.14706
SMILESCCCCC/C=C/C=C/c1oc2c(c(=O)c1O)C(=O)NC2C
InChIInChI=1S/C17H21NO4/c1-3-4-5-6-7-8-9-10-12-14(19)15(20)13-16(22-12)11(2)18-17(13)21/h7-11,19H,3-6H2,1-2H3,(H,18,21)/b8-7+,10-9+
InChIKeyLJYGSXTWVMUTEO-XBLVEGMJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (26414728) Strain: AnKW2
Roles Classification
Biological Roles:
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 .
ChEBI Ontology
Outgoing Relation(s)
pyranonigrin K (CHEBI:133789) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin K (CHEBI:133789) has role marine metabolite (CHEBI:76507)
pyranonigrin K (CHEBI:133789) is a cyclic ketone (CHEBI:3992)
pyranonigrin K (CHEBI:133789) is a enol (CHEBI:33823)
pyranonigrin K (CHEBI:133789) is a pyranopyrrole (CHEBI:133874)
pyranonigrin K (CHEBI:133789) is a γ-lactam (CHEBI:74222)
IUPAC Name 
3-hydroxy-7-methyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione
Citations