| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:06 UTC |
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| Update Date | 2025-03-21 17:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004090 |
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| Frequency | 1393.9 |
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| Structure | |
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| Chemical Formula | C6H11NO3 |
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| Molecular Mass | 145.0739 |
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| SMILES | CC(C)C(NC=O)C(=O)O |
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| InChI Key | QBYYLBWFBPAOKU-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 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 acidvaline or derivativesfatty 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 compoundorganooxygen compound |
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