| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:00 UTC |
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| Update Date | 2025-03-21 18:32:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093230 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C13H23N3O9 |
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| Molecular Mass | 365.1434 |
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| SMILES | CC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(CO)C(O)C(O)C1O |
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| InChI Key | OEAPJRJGAFZLGO-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxepanesprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidfatty amidefatty acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidasparagine or derivativesprimary alcoholorganoheterocyclic compoundacetamidealcoholcarboxamide groupn-acyl-amineoxepaneoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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