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CHEBI:58460 - 13-(2-methylcrotonoyloxy)lupaninium

ChEBI IDCHEBI:58460
ChEBI Name13-(2-methylcrotonoyloxy)lupaninium
Stars
DefinitionConjugate acid of 13-(2-methylcrotonoyloxy)lupanine.
Last Modified24 November 2014
DownloadsMolfile
FormulaC20H31N2O3
Net Charge+1
Average Mass347.479
Monoisotopic Mass347.23292
SMILES[H][C@]1(OC(=O)/C(C)=C/C)CC[NH+]2C[C@H]3C[C@H](CN4C(=O)CCC[C@]34[H])[C@@]2([H])C1
InChIInChI=1S/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3/p+1/b13-3+/t14-,15-,16+,17-,18-/m1/s1
InChIKeyUPVPJQNTGLTBPC-SJCLNHAISA-O
ChEBI Ontology
Outgoing Relation(s)
13-(2-methylcrotonoyloxy)lupaninium (CHEBI:58460) is a ammonium ion derivative (CHEBI:35274)
13-(2-methylcrotonoyloxy)lupaninium (CHEBI:58460) is conjugate acid of 13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360)
Incoming Relation(s)
13-(2-methylcrotonoyloxy)lupanine (CHEBI:18360) is conjugate base of 13-(2-methylcrotonoyloxy)lupaninium (CHEBI:58460)
IUPAC Name 
(7α,9α,11β,13α)-2-oxospartein-16-ium-13-yl (2E)-2-methylbut-2-enoate
Synonym  Source
13-(2-methylcrotonoyloxy)lupaninium cationChEBI
UniProt Name  Source
13-(2-methylcrotonoyloxy)lupanineUniProt