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CHEBI:219111 - Oxaleimide D

Default Structure
ChEBI IDCHEBI:219111
ChEBI NameOxaleimide D
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]1C(/C=C/C)=C[C@@H](O)[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@@H]12
InChIInChI=1S/C28H39NO6/c1-5-8-9-11-16(7-3)23-24(27(33)29-26(23)32)25(31)22-17(10-6-2)14-20(30)19-13-18(28(34)35)12-15(4)21(19)22/h6-7,10,14-16,18-24,30H,3,5,8-9,11-13H2,1-2,4H3,(H,34,35)(H,29,32,33)/b10-6+/t15-,16+,18+,19-,20+,21+,22+,23-,24+/m0/s1
InChIKeyNGMGILOEGZKPMC-CUXQCCNSSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide D (CHEBI:219111) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,4S,4aR,5S,8S,8aR)-8-hydroxy-4-methyl-5-[(3R,4S)-4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrolidine-3-carbonyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene-2-carboxylic acid