| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:30 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O8 |
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| Molecular Mass | 292.0907 |
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| SMILES | NC(CC(=O)NC1CC(O)C(O)C(C(=O)O)O1)C(=O)O |
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| InChI Key | PBYGNSDZODBARU-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 aminesn-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty amidemonosaccharidefatty acidpyran carboxylic acidn-glucuronidebeta-hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidasparagine or derivativesoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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