CHEBI:34792 - histrionicotoxin

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ChEBI Name histrionicotoxin
ChEBI ID CHEBI:34792
Definition An azaspiro compound that is 1-azaspiro[5.5]undecane substituted by a hydroxy group at position 8, a but-1-en-3-yn-1-yl group at position 7 and a pent-3-en-1-yn-5-yl group at position 2 (the 2S,6R,7S,8S stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H25NO
Net Charge 0
Average Mass 283.40790
Monoisotopic Mass 283.19361
InChI InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16-,17-,18+,19-/m1/s1
InChIKey JBRYWENFVHQBGY-GFSCOHCQSA-N
SMILES O[C@H]1CCC[C@]2(CCC[C@@H](C\C=C\C#C)N2)[C@@H]1\C=C\C#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.
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ChEBI Ontology
Outgoing histrionicotoxin (CHEBI:34792) has role metabolite (CHEBI:25212)
histrionicotoxin (CHEBI:34792) is a azaspiro compound (CHEBI:35624)
histrionicotoxin (CHEBI:34792) is a secondary alcohol (CHEBI:35681)
histrionicotoxin (CHEBI:34792) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
(2S,6R,7S,8S)-7-[(1E)-but-1-en-3-yn-1-yl]-2-[(2E)-pent-2-en-4-yn-1-yl]-1-azaspiro[5.5]undecan-8-ol
Manual Xrefs Databases
C00028347 KNApSAcK
C13683 KEGG COMPOUND
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Registry Numbers Types Sources
34272-51-0 CAS Registry Number KEGG COMPOUND
34272-51-0 CAS Registry Number ChemIDplus
4192658 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21793562 PubMed citation Europe PMC
Last Modified
28 July 2014