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CHEBI:142830 - (+)-vincadifformine(1+)

ChEBI IDCHEBI:142830
ChEBI Name(+)-vincadifformine(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of (+)-vincadifformine. The major species at pH 7.3.
Last Modified4 March 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-/m1/s1
InChIKeyGIGFIWJRTMBSRP-NJDAHSKKSA-O
ChEBI Ontology
Outgoing Relation(s)
(+)-vincadifformine(1+) (CHEBI:142830) is a ammonium ion derivative (CHEBI:35274)
(+)-vincadifformine(1+) (CHEBI:142830) is conjugate acid of (+)-vincadifformine (CHEBI:142834)
(+)-vincadifformine(1+) (CHEBI:142830) is enantiomer of (−)-vincadifformine(1+) (CHEBI:142771)
Incoming Relation(s)
(+)-vincadifformine (CHEBI:142834) is conjugate base of (+)-vincadifformine(1+) (CHEBI:142830)
(−)-vincadifformine(1+) (CHEBI:142771) is enantiomer of (+)-vincadifformine(1+) (CHEBI:142830)
IUPAC Name 
3-(methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium
UniProt Name  Source
(+)-vincadifformineUniProt
Citations