CHEBI:142673 - O-acetyl-15α-stemmadenine(1+)

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ChEBI Name O-acetyl-15α-stemmadenine(1+)
ChEBI ID CHEBI:142673
ChEBI ASCII Name O-acetyl-15alpha-stemmadenine(1+)
Definition An ammonium ion resulting from the protonation of the tertiary amino group of O-acetyl-15α-stemmadenine. 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
Formula C23H29N2O4
Net Charge +1
Average Mass 397.488
Monoisotopic Mass 397.21218
InChI InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1
InChIKey ZNCUMLJVNWXVLT-ISNKGDJGSA-O
SMILES C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])(C(=O)OC)COC(C)=O
ChEBI Ontology
Outgoing O-acetyl-15α-stemmadenine(1+) (CHEBI:142673) is a ammonium ion derivative (CHEBI:35274)
O-acetyl-15α-stemmadenine(1+) (CHEBI:142673) is conjugate acid of O-acetyl-15α-stemmadenine (CHEBI:142836)
Incoming O-acetyl-15α-stemmadenine (CHEBI:142836) is conjugate base of O-acetyl-15α-stemmadenine(1+) (CHEBI:142673)
Synonym Source
O-acetyl-15α-stemmadenine UniProt
Manual Xref Database
CPD-21548 MetaCyc
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Citation Waiting for Citations Type Source
29511102 PubMed citation SUBMITTER
Last Modified
03 January 2019