| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:56 UTC |
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| Update Date | 2025-03-25 00:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N4O7 |
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| Molecular Mass | 380.1332 |
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| SMILES | CC(NC(=N)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)O |
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| InChI Key | CLXPMYVGSXVZFN-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsbenzoyl derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidinesguanidinobenzoic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesiminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminebenzoyltricarboxylic acid or derivativesbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboximidamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidguanidinobenzoic acid or derivativesorganic nitrogen compoundorganooxygen compound |
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