CHEBI:182398 - [(6R,7S)-6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate

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ChEBI Name [(6R,7S)-6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
ChEBI ID CHEBI:182398
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H21NO4
Net Charge 0
Average Mass 255.314
Monoisotopic Mass 255.14706
InChI InChI=1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8?,9?,10?,11-,12+
InChIKey YZFJTFVPCWEPND-JHOCIBHQSA-N
SMILES O[C@H]1C2N(C([C@H]1O)CC(OC(=O)/C(/C)=C/C)C2)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(6R,7S)-6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate (CHEBI:182398) is a tropane alkaloid (CHEBI:37332)
IUPAC Name
[(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
Manual Xrefs Databases
4445158 ChemSpider
C10861 KEGG COMPOUND
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