CHEBI:142526 - tetrahydroalstonine(1+)

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ChEBI Name tetrahydroalstonine(1+)
ChEBI ID CHEBI:142526
Definition An ammonium ion resulting from the protonation of the tertiary amino group of tetrahydroalstonine. The major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C21H25N2O3
Net Charge +1
Average Mass 353.436
Monoisotopic Mass 353.18597
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/p+1/t12-,15-,16-,19-/m0/s1
InChIKey GRTOGORTSDXSFK-DLLGKBFGSA-O
SMILES C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H]
ChEBI Ontology
Outgoing tetrahydroalstonine(1+) (CHEBI:142526) is a ammonium ion derivative (CHEBI:35274)
tetrahydroalstonine(1+) (CHEBI:142526) is conjugate acid of tetrahydroalstonine (CHEBI:9479)
Incoming tetrahydroalstonine (CHEBI:9479) is conjugate base of tetrahydroalstonine(1+) (CHEBI:142526)
IUPAC Name
(19α,20α)-16-(methoxycarbonyl)-19-methyl-16,17-didehydro-18-oxayohimban-4-ium
Synonym Source
tetrahydroalstonine UniProt
Last Modified
15 November 2018