| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:57:17 UTC |
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| Update Date | 2025-03-21 18:05:14 UTC |
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| HMDB ID | HMDB0256428 |
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| Metabolite Identification |
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| DeepMet ID | DMID00055711 |
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| Name | Phenyl-Alanine |
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| Frequency | 57.4 |
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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 | CC(Nc1ccccc1)C(=O)O |
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| InChI Key | XWKAVQKJQBISOL-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylalkylaminealanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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