| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:37 UTC |
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| Update Date | 2025-03-21 18:28:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070833 |
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| Frequency | 79.9 |
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| Structure | |
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| Chemical Formula | C9H15NO5 |
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| Molecular Mass | 217.095 |
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| SMILES | CC(NC(=O)CCCCC(=O)O)C(=O)O |
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| InChI Key | QUBUXGSFGPNLSW-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha-amino acidcarboxamide groupamino fatty acidn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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