| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:27 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032419 |
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| Frequency | 139.3 |
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| Structure | |
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| Chemical Formula | C9H17NO5 |
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| Molecular Mass | 219.1107 |
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| SMILES | CC(C)CC(NC(=O)C(O)CO)C(=O)O |
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| InChI Key | PYPWGJHPNYCTHY-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidmonosaccharidefatty acidsaccharideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcohol1,2-dioln-acyl-alpha amino acid or derivativesalcoholmethyl-branched fatty acidn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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