| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:25 UTC |
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| Update Date | 2025-03-21 18:42:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137316 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C9H14N2O8 |
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| Molecular Mass | 278.075 |
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| SMILES | NC(CC(=O)NC1OC(C(=O)O)C(O)C1O)C(=O)O |
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| InChI Key | BQLGLRYYXLWPIT-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativestetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty amidemonosaccharidefatty acidbeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidasparagine or derivativesorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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