Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:47:28 UTC |
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Update Date | 2025-03-25 00:49:12 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02172668 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H24N2O3 |
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Molecular Mass | 244.1787 |
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SMILES | CCCC(N)C(=O)NC(C(=O)OC)C(C)CC |
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InChI Key | CEQRUEZLHXEWLG-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 | peptides |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidscarbonyl compoundsfatty acid estershydrocarbon derivativesisoleucine and derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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