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CHEBI:211931 - 5,5′-epoxy-MKN-349A

ChEBI IDCHEBI:211931
ChEBI Name5,5′-epoxy-MKN-349A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34N4O5
Net Charge0
Average Mass434.537
Monoisotopic Mass434.25292
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CC[C@@H]3O[C@H]4CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N32)N4C1=O
InChIInChI=1S/C22H34N4O5/c1-5-12(4)18-22(30)26-14-6-9-17(26)31-16-8-7-15(20(28)24-18)25(16)21(29)13(10-11(2)3)23-19(14)27/h11-18H,5-10H2,1-4H3,(H,23,27)(H,24,28)/t12-,13-,14-,15-,16-,17-,18-/m0/s1
InChIKeyXITLRNMYNJUDBJ-GOMYCMKKSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies GD6 (ncbitaxon:1429582) - DOI (10.1002/hlca.201400062)
ChEBI Ontology
Outgoing Relation(s)
5,5′-epoxy-MKN-349A (CHEBI:211931) has functional parent α-amino acid (CHEBI:33704)
5,5′-epoxy-MKN-349A (CHEBI:211931) is a organonitrogen compound (CHEBI:35352)
5,5′-epoxy-MKN-349A (CHEBI:211931) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,7S,10S,13S,16S)-4-[(2S)-butan-2-yl]-13-(2-methylpropyl)-19-oxa-2,5,11,14-tetrazatetracyclo[8.8.1.02,16.07,11]nonadecane-3,6,12,15-tetrone