| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184748 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N4O9 |
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| Molecular Mass | 424.123 |
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| SMILES | N=C(Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N(CC(=O)O)CC(=O)O |
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| InChI Key | YTCGUDVGQYJRIB-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 | alpha amino acidsbenzoyl derivativescarbonyl compoundscarboximidamidescarboxylic acidsguanidinesguanidinobenzoic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesiminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestetracarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminebenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativestetracarboxylic acid or derivativesglutamic acid or derivativescarboximidamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidguanidinobenzoic acid or derivativesorganic nitrogen compoundorganooxygen compound |
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