| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:25 UTC |
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| Update Date | 2025-03-25 00:53:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197567 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H21NO5 |
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| Molecular Mass | 259.142 |
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| SMILES | CCC(C)C(NC(=O)CCC(O)C(C)=O)C(=O)O |
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| InChI Key | KZWYGLLPJMKOSA-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyloinsalpha amino acidsalpha-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesn-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 amidemonosaccharidefatty acidalpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidisoleucine or derivativesn-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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