CHEBI:211931 - 5,5′-epoxy-MKN-349A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5,5′-epoxy-MKN-349A
ChEBI ID CHEBI:211931
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C22H34N4O5
Net Charge 0
Average Mass 434.537
Monoisotopic Mass 434.25292
InChI InChI=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
InChIKey XITLRNMYNJUDBJ-GOMYCMKKSA-N
SMILES O=C1N2[C@H]3O[C@@H]4N(C(=O)[C@@H](NC([C@@H]2CC3)=O)CC(C)C)[C@H](C(N[C@H]1[C@H](CC)C)=O)CC4
Metabolite of Species Details
Penicilliumspecies GD6 (NCBI:txid1429582) See: DOI
ChEBI Ontology
Outgoing 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