| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:18 UTC |
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| Update Date | 2025-03-21 17:57:16 UTC |
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| HMDB ID | HMDB0248298 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006837 |
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| Name | (2S)-2-(Diaminomethylideneamino)-3-phenylpropanoic acid |
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| Frequency | 1029.3 |
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| Structure | |
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| Chemical Formula | C10H13N3O2 |
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| Molecular Mass | 207.1008 |
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| SMILES | N=C(N)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | MVTHUEOHHHQQKY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineiminecarboximidamidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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