CHEBI:57753 - vindolinium(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vindolinium(1+)
ChEBI ID CHEBI:57753
Definition A vinca alkaloid cation that is the conjugate acid of vindoline; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H33N2O6
Net Charge +1
Average Mass 457.540
Monoisotopic Mass 457.23331
InChI InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/p+1/t19-,20+,21+,23+,24+,25-/m0/s1
InChIKey CXBGOBGJHGGWIE-ACSXSLCXSA-O
SMILES [C@@]123[C@@](N(C4=C1C=CC(=C4)OC)C)([C@]([C@@H]([C@]5([C@@]2([NH+](CC=C5)CC3)[H])CC)OC(=O)C)(C(=O)OC)O)[H]
ChEBI Ontology
Outgoing vindolinium(1+) (CHEBI:57753) is a vinca alkaloid cation (CHEBI:60082)
vindolinium(1+) (CHEBI:57753) is conjugate acid of vindoline (CHEBI:16380)
Incoming vindoline (CHEBI:16380) is conjugate base of vindolinium(1+) (CHEBI:57753)
IUPAC Name
4β-acetoxy-3β-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium
Synonyms Sources
(2β,3β,4β,5α,12β,19α)-4-acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium IUPAC
methyl 4β-acetyloxy-3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium-3α-carboxylate ChEBI
vindoline UniProt
vindolinium cation ChEBI
Last Modified
26 July 2017