Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:07 UTC |
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Update Date | 2025-03-21 18:35:27 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105724 |
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Frequency | 25.5 |
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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(NCC(O)C(=O)O)C(=O)O |
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InChI Key | FMYVREKKIMMVSE-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 | alpha amino acidsalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidalpha-hydroxy acidmonosaccharidefatty acidsaccharideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminemethyl-branched fatty acidhydroxy acidsecondary aminebranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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