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CHEBI:231747 - N-acetyl-Wieland-Gumlich aldehyde(1+)

ChEBI IDCHEBI:231747
ChEBI NameN-acetyl-Wieland-Gumlich aldehyde(1+)
Stars
ASCII NameN-acetyl-Wieland-Gumlich aldehyde(1+)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H25N2O3
Net Charge+1
Average Mass353.442
Monoisotopic Mass353.18597
SMILES[H][C@]12C(O)OCC=C3C[NH+]4CC[C@@]5(c6ccccc6N(C(C)=O)[C@]51[H])[C@]4([H])C[C@@]32[H]
InChIInChI=1S/C21H24N2O3/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22/h2-6,14,17-20,25H,7-11H2,1H3/p+1/t14-,17-,18+,19-,20?,21+/m0/s1
InChIKeyQSDMAJZSSDNJPO-MGZJCFCGSA-O
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-Wieland-Gumlich aldehyde(1+) (CHEBI:231747) is a acetamides (CHEBI:22160)
N-acetyl-Wieland-Gumlich aldehyde(1+) (CHEBI:231747) is a indole alkaloid cation (CHEBI:60521)
N-acetyl-Wieland-Gumlich aldehyde(1+) (CHEBI:231747) is a organic heterohexacyclic compound (CHEBI:51914)
N-acetyl-Wieland-Gumlich aldehyde(1+) (CHEBI:231747) is a primary alcohol (CHEBI:15734)
UniProt Name  Source
diabolineUniProt
Citations