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CHEBI:227853 - Dibohemamine A

Default Structure
ChEBI IDCHEBI:227853
ChEBI NameDibohemamine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N4O6
Net Charge0
Average Mass536.629
Monoisotopic Mass536.26348
SMILESCC(C)=CC(=O)NC1=C(CC2=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/C29H36N4O6/c1-12(2)9-18(34)30-26-16(22(36)28(7)24-20(38-24)14(5)32(26)28)11-17-23(37)29(8)25-21(39-25)15(6)33(29)27(17)31-19(35)10-13(3)4/h9-10,14-15,20-21,24-25H,11H2,1-8H3,(H,30,34)(H,31,35)/t14-,15-,20+,21+,24+,25+,28+,29+/m0/s1
InChIKeyGUONLEGRVMXNQJ-YYUXWGNSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesnoverrucosus (ncbitaxon:284043) - PubMed (26834079)
ChEBI Ontology
Outgoing Relation(s)
Dibohemamine A (CHEBI:227853) is a pyrrolizines (CHEBI:38522)
IUPAC Name 
N-[(1S,2S,4R,5S)-8-[[(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]methyl]-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
58196539ChemSpider