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CHEBI:219144 - Oxaleimide I

Default Structure
ChEBI IDCHEBI:219144
ChEBI NameOxaleimide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO5
Net Charge0
Average Mass469.622
Monoisotopic Mass469.28282
SMILESC=C[C@H](CCCCC)[C@@H]1C(=O)NC(=O)[C@H]1C(=O)[C@@H]1/C(=C/CC)C=C[C@@H]2C[C@H](C(=O)O)C[C@H](C)[C@H]21
InChIInChI=1S/C28H39NO5/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/h7,10,12-13,16-17,19-24H,3,5-6,8-9,11,14-15H2,1-2,4H3,(H,33,34)(H,29,31,32)/b18-10+/t16-,17+,19+,20+,21+,22+,23-,24+/m0/s1
InChIKeyFIHGINDTQGOOMA-BTVBPFRVSA-N
Species of MetaboliteComponentSourceComments
Penicillium oxalicum (ncbitaxon:69781) - PubMed (28365998)
ChEBI Ontology
Outgoing Relation(s)
Oxaleimide I (CHEBI:219144) 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]-6-propylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene-2-carboxylic acid