Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:00 UTC |
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Update Date | 2025-03-21 18:35:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105446 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C6H11NO4 |
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Molecular Mass | 161.0688 |
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SMILES | NCCCC(=O)C(O)C(=O)O |
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InChI Key | DZJLSIIIJFLIIS-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 | keto acids and derivatives |
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Subclass | medium-chain keto acids and derivatives |
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Direct Parent | medium-chain keto acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholhydroxy acidamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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