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CHEBI:219151 - Oxaleimide J

Default Structure
ChEBI IDCHEBI:219151
ChEBI NameOxaleimide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO5
Net Charge0
Average Mass467.606
Monoisotopic Mass467.26717
SMILESC=C/C(CCCCC)=C1\C(=O)NC(=O)[C@H]1C(=O)[C@H]1[C@H]2[C@H](C=C[C@H]1/C=C/C)C[C@H](C(=O)O)C[C@@H]2C
InChIInChI=1S/C28H37NO5/c1-5-8-9-11-17(7-3)23-24(27(32)29-26(23)31)25(30)22-18(10-6-2)12-13-19-15-20(28(33)34)14-16(4)21(19)22/h6-7,10,12-13,16,18-22,24H,3,5,8-9,11,14-15H2,1-2,4H3,(H,33,34)(H,29,31,32)/b10-6+,23-17+/t16-,18+,19+,20+,21+,22+,24+/m0/s1
InChIKeyPTCAYCKQNKCZJQ-XNEKFNNESA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide J (CHEBI:219151) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,4S,4aR,5R,6R,8aS)-4-methyl-5-[(3R,4Z)-4-oct-1-en-3-ylidene-2,5-dioxopyrrolidine-3-carbonyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalene-2-carboxylic acid