| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:52 UTC |
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| Update Date | 2025-03-21 18:35:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107597 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C9H11N3O7 |
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| Molecular Mass | 273.0597 |
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| SMILES | O=C(O)CC(NC(=O)C1CC(=O)NC(=O)N1)C(=O)O |
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| InChI Key | ZNBZIBAVNOCCBQ-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdiazinanesdicarboximidesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesn-acyl ureasn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidpyrimidonealpha-amino acid or derivativespyrimidine1,3-diazinaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesn-acyl ureacarbonic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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