| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N4O3+ |
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| Molecular Mass | 217.1295 |
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| SMILES | C[N+](C)(C)C(CC(=O)NC(=N)N)C(=O)O |
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| InChI Key | ISFACIZCFBHRDS-UHFFFAOYSA-O |
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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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsaminescarbonyl compoundscarboximidamidescarboxylic acidsfatty acids and conjugatesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl aminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundasparagine or derivativesorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltcarboximidamiden-acyl-aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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