EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133781 - pyranonigrin J

ChEBI IDCHEBI:133781
ChEBI Namepyranonigrin J
Stars
DefinitionA member of the class of pyrrolidin-2-ones with formula C17H23NO4, originally isolated from Aspergillus niger.
Last Modified1 November 2016
SubmitterJubra
DownloadsMolfile
FormulaC17H23NO4
Net Charge0
Average Mass305.374
Monoisotopic Mass305.16271
SMILESCCCCC/C=C/C=C/C=C/C(O)=C1/C(=O)NC(CO)C1=O
InChIInChI=1S/C17H23NO4/c1-2-3-4-5-6-7-8-9-10-11-14(20)15-16(21)13(12-19)18-17(15)22/h6-11,13,19-20H,2-5,12H2,1H3,(H,18,22)/b7-6+,9-8+,11-10+,15-14-
InChIKeyRUURYCUIDCAXSP-OSDNNVOJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (26414728) Strain: AnKW2
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
pyranonigrin J (CHEBI:133781) has role Aspergillus metabolite (CHEBI:76956)
pyranonigrin J (CHEBI:133781) has role marine metabolite (CHEBI:76507)
pyranonigrin J (CHEBI:133781) is a enol (CHEBI:33823)
pyranonigrin J (CHEBI:133781) is a primary alcohol (CHEBI:15734)
pyranonigrin J (CHEBI:133781) is a pyrrolidin-2-ones (CHEBI:74223)
IUPAC Name 
(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)pyrrolidine-2,4-dione
Citations