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

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ChEBI Name (+)-vincadifformine(1+) ChEBI ID CHEBI:142830 Definition An ammonium ion resulting from the protonation of the tertiary amino group of (+)-vincadifformine. The major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H27N2O2 Net Charge +1 Average Mass 339.452 Monoisotopic Mass 339.20670 InChI InChI=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 InChIKey GIGFIWJRTMBSRP-NJDAHSKKSA-O SMILES C=1(C[C@@]2([C@]3([NH+](CCC2)CC[C@@]43C5=C(NC41)C=CC=C5)[H])CC)C(=O)OC ChEBI Ontology Outgoing (+)-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 (+)-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 Synonym Source (+)-vincadifformine UniProt Citation Type Source 30256480 PubMed citation SUBMITTER Last Modified 04 March 2019

General Comment 2018-12-24 Based on personal communication with between the submitter and Prof. De Luca, this isomer of vincadifformine is the one found in pmid:30256480.