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CHEBI:58461 - 17-O-deacetylvindolinium

Default Structure
ChEBI IDCHEBI:58461
ChEBI Name17-O-deacetylvindolinium
Stars
ASCII Name17-O-deacetylvindolinium
DefinitionA vinca alkaloid cation that is the conjugate acid of 17-O-deacetylvindoline.
Last Modified26 July 2017
DownloadsMolfile
FormulaC23H31N2O5
Net Charge+1
Average Mass415.510
Monoisotopic Mass415.22275
SMILES[H][C@@]12N(C)c3cc(OC)ccc3[C@@]13CC[NH+]1CC=C[C@@](CC)([C@@H](O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=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
InChIKeyZDKMPOJNYNVYLA-PEGGBQQISA-O
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
(2β,3β,4β,5α,12β,19α)-3,4-dihydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-iumChEBI
UniProt Name  Source
4-O-deacetylvindolineUniProt