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CHEBI:142771 - (−)-vincadifformine(1+)

ChEBI IDCHEBI:142771
ChEBI Name(−)-vincadifformine(1+)
Stars
ASCII Name(-)-vincadifformine(1+)
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of (−)-vincadifformine. The major species at pH 7.3.
Last Modified16 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H27N2O2
Net Charge+1
Average Mass339.459
Monoisotopic Mass339.20670
SMILES[H][C@]12[NH+]3CCC[C@@]1(CC)CC(C(=O)OC)=C1Nc4ccccc4[C@@]12CC3
InChIInChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/p+1/t19-,20-,21-/m0/s1
InChIKeyGIGFIWJRTMBSRP-ACRUOGEOSA-O
ChEBI Ontology
Outgoing Relation(s)
(−)-vincadifformine(1+) (CHEBI:142771) is a ammonium ion derivative (CHEBI:35274)
(−)-vincadifformine(1+) (CHEBI:142771) is conjugate acid of (−)-vincadifformine (CHEBI:70507)
(−)-vincadifformine(1+) (CHEBI:142771) is enantiomer of (+)-vincadifformine(1+) (CHEBI:142830)
Incoming Relation(s)
(−)-vincadifformine (CHEBI:70507) is conjugate base of (−)-vincadifformine(1+) (CHEBI:142771)
(+)-vincadifformine(1+) (CHEBI:142830) is enantiomer of (−)-vincadifformine(1+) (CHEBI:142771)
IUPAC Name 
(5α,12β,19α)-3-(methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium
Synonyms  Source
6,7-dihydrotabersonine(1+)ChEBI
vincadifformine(1+)ChEBI
UniProt Name  Source
(−)-vincadifformineUniProt