CHEBI:58461 - 17-O-deacetylvindolinium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17-O-deacetylvindolinium
ChEBI ID CHEBI:58461
ChEBI ASCII Name 17-O-deacetylvindolinium
Definition A vinca alkaloid cation that is the conjugate acid of 17-O-deacetylvindoline.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H31N2O5
Net Charge +1
Average Mass 415.504
Monoisotopic Mass 415.22275
InChI InChI=1S/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3/p+1/t17-,18+,19+,21+,22+,23-/m0/s1
InChIKey ZDKMPOJNYNVYLA-PEGGBQQISA-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)O)(C(=O)OC)O)[H]
ChEBI Ontology
Outgoing 17-O-deacetylvindolinium (CHEBI:58461) is a vinca alkaloid cation (CHEBI:60082)
17-O-deacetylvindolinium (CHEBI:58461) is conjugate acid of 17-O-deacetylvindoline (CHEBI:18362)
Incoming 17-O-deacetylvindoline (CHEBI:18362) is conjugate base of 17-O-deacetylvindolinium (CHEBI:58461)
IUPAC Name
methyl 3β,4β-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium-3α-carboxylate
Synonyms Sources
(2β,3β,4β,5α,12β,19α)-3,4-dihydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium ChEBI
4-O-deacetylvindoline UniProt
Last Modified
26 July 2017