| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:17 UTC |
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| Update Date | 2025-03-21 18:29:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079708 |
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| Frequency | 36.6 |
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| Structure | |
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| Chemical Formula | C12H21N3O8 |
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| Molecular Mass | 335.1329 |
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| SMILES | CC(=O)NC1C(O)C(O)C(O)C(O)C1NC(=O)CC(N)C(=O)O |
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| InChI Key | QCYTVWXHBRIFKE-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidasparagine or derivativesacetamidealcoholcyclohexanolcyclitol or derivativescyclic alcoholcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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