| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:56 UTC |
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| Update Date | 2025-03-21 17:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003683 |
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| Frequency | 1579.8 |
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| Structure | |
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| Chemical Formula | C7H13NO3 |
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| Molecular Mass | 159.0895 |
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| SMILES | CCC(C)C(NC=O)C(=O)O |
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| InChI Key | IONXXIKCTQHZNC-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 acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-formyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesn-formyl-alpha-amino acidorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativen-formyl-alpha amino acid or derivativesorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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