| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:33 UTC |
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| Update Date | 2025-03-25 00:56:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216458 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N2O7P |
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| Molecular Mass | 346.093 |
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| SMILES | CCC(NC(=O)C(N)Cc1ccc(OP(=O)(O)O)cc1)C(=O)O |
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| InChI Key | LSHRSHSAZBJFGZ-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 | dipeptides |
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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 derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenyl phosphatesphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidphenyl phosphatecarboxamide grouparomatic homomonocyclic compoundalpha-dipeptidesecondary 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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