| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:17 UTC |
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| Update Date | 2025-03-21 18:03:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046448 |
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| Frequency | 72.1 |
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| Structure | |
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| Chemical Formula | C9H17N5O6 |
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| Molecular Mass | 291.1179 |
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| SMILES | N=C(NOCCC(N)C(=O)O)NC(CC(N)=O)C(=O)O |
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| InChI Key | UYZOXASIRQYCNY-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 | asparagine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesfatty amidesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminefatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativescarboximidamidecarboxamide grouporganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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