| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:10 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N3O7P |
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| Molecular Mass | 361.1039 |
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| SMILES | NC(CCNC(=O)C(N)Cc1ccc(OP(=O)(O)O)cc1)C(=O)O |
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| InChI Key | NOXHAIYJLHGNIV-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 acid amidesalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl phosphatessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalpha-amino acid amidephenyl phosphatecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphosphoric acid esterhydrocarbon derivativearyl phosphomonoesterbenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
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