| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:14 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO6P |
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| Molecular Mass | 289.0715 |
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| SMILES | CCNC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O |
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| InChI Key | VSMDLHRRJSDRFJ-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 acidsamino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenyl phosphatesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessecondary aliphatic aminesecondary aminephenyl phosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid esterhydrocarbon derivativearyl phosphomonoesterbenzenoidorganic nitrogen compoundphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compoundamine |
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