| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:41:21 UTC |
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| Update Date | 2025-03-21 18:48:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00160493 |
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| Frequency | 14.9 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | CC(C)C(N=O)C(=O)O |
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| InChI Key | MBGQSVGJHSCMFS-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsc-nitroso compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl grouporganic nitroso compoundcarboxylic acidmethyl-branched fatty acidvaline or derivativesfatty acidorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundc-nitroso compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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