| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:01 UTC |
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| Update Date | 2025-03-21 18:41:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136401 |
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| Frequency | 36.3 |
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| Structure | |
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| Chemical Formula | C9H13NO6 |
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| Molecular Mass | 231.0743 |
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| SMILES | O=C(O)CNC(=O)CCCCC(=O)C(=O)O |
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| InChI Key | YASOISYEURTNAS-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundcarboxamide groupamino fatty acidn-acyl-aminen-acylglycinesecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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