CHEBI:133782 - pyranonigrin I

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ChEBI Name pyranonigrin I
ChEBI ID CHEBI:133782
Definition A member of the class of pyrrolidin-2-ones with formula C18H25NO4, 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 C18H25NO4
Net Charge 0
Average Mass 319.396
Monoisotopic Mass 319.17836
InChI InChI=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-
InChIKey VWEBVPPRDSFNMN-QMBLUHEQSA-N
SMILES C(=C/C=C/CCCCC)\C=C\C(=C\1/C(C(N(C1=O)C)CO)=O)\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 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
Citation Waiting for Citations Type Source
26414728 PubMed citation Europe PMC
Last Modified
01 November 2016