EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:219117 - Oxaleimide E

ChEBI IDCHEBI:219117
ChEBI NameOxaleimide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESC=C[C@H](CCCCC)[C@@H]1C(=O)NC(=O)C1=C1O[C@@H]2[C@@H](O)[C@@H]3C[C@H](C(=O)O)C[C@H](C)[C@H]3[C@H]1[C@@H]2/C=C/C
InChIInChI=1S/C28H39NO6/c1-5-8-9-11-15(7-3)20-22(27(32)29-26(20)31)25-21-17(10-6-2)24(35-25)23(30)18-13-16(28(33)34)12-14(4)19(18)21/h6-7,10,14-21,23-24,30H,3,5,8-9,11-13H2,1-2,4H3,(H,33,34)(H,29,31,32)/b10-6+,25-22?/t14-,15+,16+,17-,18+,19+,20-,21+,23-,24-/m0/s1
InChIKeyUVEWXYATLJYPII-ISDOYUSJSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide E (CHEBI:219117) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2R,3S,5R,7R,8S,9S,12S)-8-hydroxy-3-methyl-11-[(4S)-4-[(3S)-oct-1-en-3-yl]-2,5-dioxopyrrolidin-3-ylidene]-12-[(E)-prop-1-enyl]-10-oxatricyclo[7.2.1.02,7]dodecane-5-carboxylic acid