| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:43 UTC |
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| Update Date | 2025-03-21 18:05:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054376 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C13H20NO5PS |
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| Molecular Mass | 333.08 |
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| SMILES | CCOP(=S)(OCC)Oc1ccc(CC(N)C(=O)O)cc1 |
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| InChI Key | WMIYTYBUQNLITO-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 triesters |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidthiophosphoric acid esterorganic thiophosphoric acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl thiophosphatephenyl thiophosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic aminethiophosphate triesterorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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