| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:54 UTC |
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| Update Date | 2025-03-21 18:28:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073937 |
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| Frequency | 59.2 |
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| Structure | |
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| Chemical Formula | C9H13NO8 |
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| Molecular Mass | 263.0641 |
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| SMILES | O=C(O)CC(NC(=O)CCC(O)C(=O)O)C(=O)O |
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| InChI Key | HVLRNHPXPSJUDU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonosaccharidesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidfatty amidemonosaccharidetricarboxylic acid or derivativessaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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