| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:33:27 UTC |
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| Update Date | 2025-03-21 17:56:06 UTC |
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| HMDB ID | HMDB0000159 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000144 |
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| Name | Phenylalanine |
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| Frequency | 20833.0 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | NC(Cc1ccccc1)C(=O)O |
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| InChI Key | COLNVLDHVKWLRT-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 compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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