| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:51 UTC |
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| Update Date | 2025-03-21 18:41:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133754 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C10H19NO4 |
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| Molecular Mass | 217.1314 |
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| SMILES | CCC(C)C(NC(=O)C(C)O)C(=O)OC |
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| InChI Key | DEXXEZGQCJQOTA-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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