| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:02 UTC |
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| Update Date | 2025-03-25 00:50:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16NO9P |
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| Molecular Mass | 361.0563 |
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| SMILES | O=C(O)CCC(=O)NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O |
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| InChI Key | VCUGYTVOEAGWNX-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl phosphatesphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidphenyl phosphatecarboxamide groupn-acyl-aminearomatic homomonocyclic compoundsecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundphosphoric acid esterdicarboxylic acid or derivativeshydrocarbon derivativearyl phosphomonoesterbenzenoidorganic nitrogen compoundphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
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