| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:50 UTC |
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| Update Date | 2025-03-21 18:29:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078587 |
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| Frequency | 37.2 |
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| Structure | |
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| Chemical Formula | C8H17N5O2 |
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| Molecular Mass | 215.1382 |
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| SMILES | CC(C)CC(NC(=N)NC(=N)N)C(=O)O |
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| InChI Key | KRLDZMQYRJAJFT-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbiguanidescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidguanidineiminefatty acidcarboximidamidebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbiguanideorganooxygen compound |
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