CHEBI:208469 - Dibohemamine E

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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 Dibohemamine E
ChEBI ID CHEBI:208469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H38N4O6
Net Charge 0
Average Mass 550.656
Monoisotopic Mass 550.27913
InChI InChI=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
InChIKey YOKZZPFAIYSTCV-QFMPTPAPSA-N
SMILES O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C)C(C4=C(N5[C@H]([C@@H]6[C@H]([C@]5(C4=O)C)O6)C)NC(=O)C=C(C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78439018 ChemSpider
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