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CHEBI:143195 - 5,6-didehydrosparteine

ChEBI IDCHEBI:143195
ChEBI Name5,6-didehydrosparteine
Stars
DefinitionA quinolizidine alkaloid obtained by formal dehydrogenation at the 5,6-position of sparteine. It is a metabolite of sparteine found in human urine and plasma.
Last Modified1 March 2019
SubmitterAdnan
DownloadsMolfile
FormulaC15H24N2
Net Charge0
Average Mass232.371
Monoisotopic Mass232.19395
SMILES[H][C@@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC=C12
InChIInChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h5,12-13,15H,1-4,6-11H2/t12-,13-,15-/m0/s1
InChIKeyYIHBNZCJQJSZJP-YDHLFZDLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (3235532)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5,6-didehydrosparteine (CHEBI:143195) has functional parent sparteine (CHEBI:28827)
5,6-didehydrosparteine (CHEBI:143195) has role human xenobiotic metabolite (CHEBI:76967)
5,6-didehydrosparteine (CHEBI:143195) is a organic heterotetracyclic compound (CHEBI:38163)
5,6-didehydrosparteine (CHEBI:143195) is a quinolizidine alkaloid (CHEBI:26515)
5,6-didehydrosparteine (CHEBI:143195) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
5,6-didehydrosparteine
Synonyms  Source
5-dehydrosparteineChemIDplus
5,6-DDHSPChEBI
(7S,14S,14aS)-1,3,4,7,9,10,11,13,14,14a-decahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocineIUPAC
Registry NumbersSources
CAS:2130-67-8ChemIDplus
Citations