| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:50 UTC |
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| Update Date | 2025-03-25 00:57:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226256 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO7 |
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| Molecular Mass | 235.0692 |
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| SMILES | CC(NC(=O)CCC(O)(O)C(=O)O)C(=O)O |
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| InChI Key | NQSJAJJOAYXXNQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarbonyl hydratescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarbonyl hydratealpha-hydroxy acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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