| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:07 UTC |
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| Update Date | 2025-03-21 18:00:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024583 |
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| Frequency | 164.6 |
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| Structure | |
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| Chemical Formula | C12H22N2O5 |
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| Molecular Mass | 274.1529 |
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| SMILES | CC(=O)NC(C(=O)NC(CC(C)C)C(=O)O)C(C)O |
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| InChI Key | DLSAUCHAPCBMSE-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidacetamiden-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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