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CHEBI:57965 - deacetoxyvindolinium(1+)

ChEBI IDCHEBI:57965
ChEBI Namedeacetoxyvindolinium(1+)
Stars
DefinitionThe conjugate acid of deacetoxyvindoline arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified26 July 2017
DownloadsMolfile
FormulaC23H31N2O4
Net Charge+1
Average Mass399.511
Monoisotopic Mass399.22783
SMILES[H][C@@]12N(C)c3cc(OC)ccc3[C@@]13CC[NH+]1CC=C[C@@](CC)(C[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=1S/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3/p+1/t18-,19+,21-,22+,23+/m0/s1
InChIKeyWNKDGPXNFMMOEJ-RNJSZURPSA-O
ChEBI Ontology
Outgoing Relation(s)
deacetoxyvindolinium(1+) (CHEBI:57965) is a vinca alkaloid cation (CHEBI:60082)
deacetoxyvindolinium(1+) (CHEBI:57965) is conjugate acid of deacetoxyvindoline (CHEBI:16957)
Incoming Relation(s)
deacetoxyvindoline (CHEBI:16957) is conjugate base of deacetoxyvindolinium(1+) (CHEBI:57965)
IUPAC Name 
methyl 3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium-3α-carboxylate
Synonyms  Source
deacetoxyvindolinium cationChEBI
(2β,3β,5α,12β,19α)-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-iumChEBI
UniProt Name  Source
deacetoxyvindolineUniProt