| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:18 UTC |
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| Update Date | 2025-03-25 00:45:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O6 |
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| Molecular Mass | 311.1117 |
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| SMILES | NC(CCC(=O)NC(CC(=O)c1ccc[nH]1)C(=O)O)C(=O)O |
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| InChI Key | VVFVJWBXNOPLIV-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketoneglutamine or derivativesaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminegamma-keto acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundketo acidpyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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