CHEBI:227853 - Dibohemamine A

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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 A
ChEBI ID CHEBI:227853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H36N4O6
Net Charge 0
Average Mass 536.629
Monoisotopic Mass 536.26348
InChI InChI=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
InChIKey GUONLEGRVMXNQJ-YYUXWGNSSA-N
SMILES O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C)CC4=C(N5[C@H]([C@@H]6[C@H]([C@]5(C4=O)C)O6)C)NC(=O)C=C(C)C
Metabolite of Species Details
Streptomycesspeciesnoverrucosus (NCBI:txid284043) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58196539 ChemSpider
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