| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:51 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28N4O8 |
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| Molecular Mass | 464.1907 |
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| SMILES | NC(CCCCN1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C1=O)C(=O)O |
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| InChI Key | XKRNYERLJNVYRO-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesimidazolidinonesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylimidazolidinessecondary carboxylic acid amidestricarboxylic acids and derivativesureas |
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| Substituents | imidazolidinemonocyclic benzene moietycarbonyl groupcarboxylic acidphenylimidazolidinearomatic heteromonocyclic compoundbenzoyltricarboxylic acid or derivativesbenzamideureaimidazolidinoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativescarbonic acid derivativeazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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