| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:31 UTC |
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| Update Date | 2025-03-21 18:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034955 |
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| Frequency | 111.1 |
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| Structure | |
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| Chemical Formula | C9H17N3O5 |
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| Molecular Mass | 247.1168 |
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| SMILES | NC(CCCNC(=O)C(N)CC(=O)O)C(=O)O |
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| InChI Key | RXZOEFJDAUMUEZ-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 acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-amino acid amidefatty amidefatty acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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