| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:35 UTC |
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| Update Date | 2025-03-21 18:04:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049535 |
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| Frequency | 79.0 |
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| Structure | |
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| Chemical Formula | C9H12NO5PS |
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| Molecular Mass | 277.0174 |
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| SMILES | NC(Cc1ccc(OP(O)(O)=S)cc1)C(=O)O |
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| InChI Key | ZSMWELNKIIFEDH-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 derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl thiophosphatesphenylpropanoic acidsthiophosphate monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidthiophosphoric acid esterthiophosphate monoesterorganic thiophosphoric acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl thiophosphatephenyl thiophosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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