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CHEBI:64287 - 17-hydroxylupanine

ChEBI IDCHEBI:64287
ChEBI Name17-hydroxylupanine
Stars
DefinitionA quinolizidine alkaloid that is lupanine bearing a hydroxy substituent at position 17.
Last Modified2 April 2013
SubmitterSteve
DownloadsMolfile
FormulaC15H24N2O2
Net Charge0
Average Mass264.369
Monoisotopic Mass264.18378
SMILES[H][C@@]12CN3C(=O)CCC[C@]3([H])[C@@]([H])(C1)C(O)N1CCCC[C@]12[H]
InChIInChI=1S/C15H24N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13,15,19H,1-9H2/t10-,11+,12-,13+,15?/m0/s1
InChIKeyLCORZQTZVFOPGT-IZADBBIGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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)
17-hydroxylupanine (CHEBI:64287) has functional parent lupanine (CHEBI:28193)
17-hydroxylupanine (CHEBI:64287) is a hemiaminal (CHEBI:73080)
17-hydroxylupanine (CHEBI:64287) is a quinolizidine alkaloid (CHEBI:26515)
17-hydroxylupanine (CHEBI:64287) is conjugate base of 17-hydroxylupanine(1+) (CHEBI:64262)
Incoming Relation(s)
17-hydroxylupanine(1+) (CHEBI:64262) is conjugate acid of 17-hydroxylupanine (CHEBI:64287)
IUPAC Name 
17-hydroxyspartein-2-one
Manual XrefsDatabases
CPD-13928MetaCyc
Registry NumbersSources
Reaxys:5959682Reaxys
CAS:15043-17-1ChemIDplus
Citations