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CHEBI:231748 - N-malonamoyl-Wieland-Gumlich aldehyde zwitterion

ChEBI IDCHEBI:231748
ChEBI NameN-malonamoyl-Wieland-Gumlich aldehyde zwitterion
Stars
ASCII NameN-malonamoyl-Wieland-Gumlich aldehyde zwitterion
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H24N2O5
Net Charge0
Average Mass396.443
Monoisotopic Mass396.16852
SMILES[H][C@]12C(O)OCC=C3C[NH+]4CC[C@@]5(c6ccccc6N(C(=O)CC(=O)[O-])[C@]51[H])[C@]4([H])C[C@@]32[H]
InChIInChI=1S/C22H24N2O5/c25-17(10-18(26)27)24-15-4-2-1-3-14(15)22-6-7-23-11-12-5-8-29-21(28)19(20(22)24)13(12)9-16(22)23/h1-5,13,16,19-21,28H,6-11H2,(H,26,27)/t13-,16-,19+,20-,21?,22+/m0/s1
InChIKeyNAOVADXKDNYEDD-NFQHTMJASA-N
ChEBI Ontology
Outgoing Relation(s)
N-malonamoyl-Wieland-Gumlich aldehyde zwitterion (CHEBI:231748) is a indole alkaloid cation (CHEBI:60521)
N-malonamoyl-Wieland-Gumlich aldehyde zwitterion (CHEBI:231748) is a organic heterohexacyclic compound (CHEBI:51914)
N-malonamoyl-Wieland-Gumlich aldehyde zwitterion (CHEBI:231748) is a primary alcohol (CHEBI:15734)
N-malonamoyl-Wieland-Gumlich aldehyde zwitterion (CHEBI:231748) is a zwitterion (CHEBI:27369)
UniProt Name  Source
prestrychnineUniProt
Citations