| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:21 UTC |
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| Update Date | 2025-03-21 18:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037025 |
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| Frequency | 95.3 |
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| Structure | |
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| Chemical Formula | C6H12N2O2 |
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| Molecular Mass | 144.0899 |
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| SMILES | CC(C)C(NC=N)C(=O)O |
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| InChI Key | BNUPSBDSLNASKZ-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 compoundscarboximidamidescarboxylic acidsformamidineshydrocarbon derivativesiminesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidiminevaline or derivativesfatty acidamidinecarboximidamidebranched fatty acidformamidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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