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CHEBI:208469 - Dibohemamine E

ChEBI IDCHEBI:208469
ChEBI NameDibohemamine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38N4O6
Net Charge0
Average Mass550.656
Monoisotopic Mass550.27913
SMILESCC(C)=CC(=O)NC1=C(C(C)C2=C(NC(=O)C=C(C)C)N3[C@@H](C)[C@H]4O[C@H]4[C@@]3(C)C2=O)C(=O)[C@]2(C)[C@@H]3O[C@@H]3[C@H](C)N12
InChIInChI=1S/C30H38N4O6/c1-12(2)10-17(35)31-27-19(23(37)29(8)25-21(39-25)15(6)33(27)29)14(5)20-24(38)30(9)26-22(40-26)16(7)34(30)28(20)32-18(36)11-13(3)4/h10-11,14-16,21-22,25-26H,1-9H3,(H,31,35)(H,32,36)/t15-,16-,21+,22+,25+,26+,29+,30+/m0/s1
InChIKeyYOKZZPFAIYSTCV-QFMPTPAPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (29035560)
ChEBI Ontology
Outgoing Relation(s)
Dibohemamine E (CHEBI:208469) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
N-[(1S,2S,4R,5S)-8-[1-[(1S,2S,4R,5S)-1,5-dimethyl-7-(3-methylbut-2-enoylamino)-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-8-yl]ethyl]-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-7-yl]-3-methylbut-2-enamide
Manual XrefsDatabases
78439018ChemSpider