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CHEBI:133782 - pyranonigrin I

ChEBI IDCHEBI:133782
ChEBI Namepyranonigrin I
Stars
DefinitionA member of the class of pyrrolidin-2-ones with formula C18H25NO4, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC18H25NO4
Net Charge0
Average Mass319.401
Monoisotopic Mass319.17836
SMILESCCCCC/C=C/C=C/C=C/C(O)=C1\C(=O)C(CO)N(C)C1=O
InChIInChI=1S/C18H25NO4/c1-3-4-5-6-7-8-9-10-11-12-15(21)16-17(22)14(13-20)19(2)18(16)23/h7-12,14,20-21H,3-6,13H2,1-2H3/b8-7+,10-9+,12-11+,16-15-
InChIKeyVWEBVPPRDSFNMN-QMBLUHEQSA-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 I (CHEBI:133782) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin I (CHEBI:133782) has role marine metabolite (CHEBI:76507)
pyranonigrin I (CHEBI:133782) is a enol (CHEBI:33823)
pyranonigrin I (CHEBI:133782) is a primary alcohol (CHEBI:15734)
pyranonigrin I (CHEBI:133782) is a pyrrolidin-2-ones (CHEBI:74223)
IUPAC Name 
(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
Citations