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CHEBI:219122 - Oxaleimide F

Default Structure
ChEBI IDCHEBI:219122
ChEBI NameOxaleimide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO7
Net Charge0
Average Mass501.620
Monoisotopic Mass501.27265
SMILESC=C[C@H](CCCCC)[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H]1/C(=C/C(C)O)C(=O)C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]21
InChIInChI=1S/C28H39NO7/c1-5-7-8-9-16(6-2)22-24(27(34)29-26(22)33)25(32)23-19(11-15(4)30)20(31)13-17-12-18(28(35)36)10-14(3)21(17)23/h6,11,14-18,21-24,30H,2,5,7-10,12-13H2,1,3-4H3,(H,35,36)(H,29,33,34)/b19-11+/t14-,15?,16+,17-,18+,21+,22-,23+,24+/m0/s1
InChIKeyBXDYEVSEOYSYNE-KXYOGPAWSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide F (CHEBI:219122) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,4S,4aR,5S,6Z,8aS)-6-(2-hydroxypropylidene)-4-methyl-5-[(3R,4S)-4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrolidine-3-carbonyl]-7-oxo-1,2,3,4,4a,5,8,8a-octahydronaphthalene-2-carboxylic acid