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

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ChEBI Name 13-(2-methylcrotonoyloxy)lupaninium
ChEBI ID CHEBI:58460
Definition Conjugate acid of 13-(2-methylcrotonoyloxy)lupanine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H31N2O3
Net Charge +1
Average Mass 347.47170
Monoisotopic Mass 347.23292
InChI InChI=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
InChIKey UPVPJQNTGLTBPC-SJCLNHAISA-O
SMILES [H][C@@]1(CC[NH+]2C[C@H]3C[C@H](CN4C(=O)CCC[C@]34[H])[C@@]2([H])C1)OC(=O)C(\C)=C\C
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
13-(2-methylcrotonoyloxy)lupanine UniProt
13-(2-methylcrotonoyloxy)lupaninium cation ChEBI
Last Modified
24 November 2014