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CHEBI:219136 - Oxaleimide H

Default Structure
ChEBI IDCHEBI:219136
ChEBI NameOxaleimide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESC=C[C@H](CCCCC)[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H]1/C(=C\CC)C(=O)C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]21
InChIInChI=1S/C28H39NO6/c1-5-8-9-11-16(7-3)22-24(27(33)29-26(22)32)25(31)23-19(10-6-2)20(30)14-17-13-18(28(34)35)12-15(4)21(17)23/h7,10,15-18,21-24H,3,5-6,8-9,11-14H2,1-2,4H3,(H,34,35)(H,29,32,33)/b19-10-/t15-,16+,17-,18+,21+,22-,23+,24+/m0/s1
InChIKeyJNEWSSBUKMKPOS-IHXBMJGWSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide H (CHEBI:219136) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,4S,4aR,5S,6E,8aS)-4-methyl-5-[(3R,4S)-4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrolidine-3-carbonyl]-7-oxo-6-propylidene-1,2,3,4,4a,5,8,8a-octahydronaphthalene-2-carboxylic acid