| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:21 UTC |
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| Update Date | 2025-03-21 18:41:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137135 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C10H18N2O5 |
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| Molecular Mass | 246.1216 |
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| SMILES | COC(=O)CC(NC(=O)C(N)C(C)C)C(=O)O |
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| InChI Key | YQYKIFIPHLCDRA-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 | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidealpha-amino acid or derivativesorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidefatty acid esterfatty acid methyl esterorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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