| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:25 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134979 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H19N3O8 |
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| Molecular Mass | 333.1172 |
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| SMILES | CC(=O)NC(CCCNC(=O)NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | YYYBCYNOJDRKHI-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesn-acyl-alpha amino acidsn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidn-acyl-alpha-amino acidn-carbamoyl-alpha-amino acidtricarboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxideorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundacetamideorganooxygen compoundn-acyl-alpha amino acid or derivatives |
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