| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:49 UTC |
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| Update Date | 2025-03-25 00:48:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17N3O3 |
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| Molecular Mass | 227.127 |
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| SMILES | CC(C)CC(C#N)NC(=O)C(N)CC(=O)O |
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| InChI Key | KDGUPTOUIBMQME-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrilealpha-amino acid amidecarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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