| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:59 UTC |
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| Update Date | 2025-03-21 18:38:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122335 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C5H8N2O4 |
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| Molecular Mass | 160.0484 |
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| SMILES | O=CNCC(=O)NCC(=O)O |
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| InChI Key | XKFHJTRQUXHXDL-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesmonocarboxylic acids and derivativesn-formyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-formyl-alpha amino acid or derivativesalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesn-formyl-alpha-amino acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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