| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:42 UTC |
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| Update Date | 2025-03-25 00:49:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O7 |
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| Molecular Mass | 318.1427 |
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| SMILES | CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)CO)C(=O)O |
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| InChI Key | MTKBADCQOHTCAZ-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 | alcohols and polyolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativeshydrocarbon derivativeshydroxy fatty acidsisoleucine and derivativesmethyl-branched fatty acidsn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary 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 oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidisoleucine or derivativesn-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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