| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:57 UTC |
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| Update Date | 2025-03-21 18:36:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110256 |
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| Frequency | 37.7 |
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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 | O=C(CCC(O)C(=O)O)NC(CO)C(=O)O |
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| InChI Key | HLOIUPGAELMCCB-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 | alpha amino acidsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesserine and derivativesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty amidemonosaccharidefatty acidbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compound |
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