| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:11 UTC |
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| Update Date | 2025-03-21 17:58:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015793 |
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| Frequency | 273.3 |
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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(CO)C(=O)O)C(=O)O |
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| InChI Key | UESSGJXDTJENCK-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 acidsamino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsprimary alcoholsserine and derivativesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidfatty acidbeta-hydroxy acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholalcoholsecondary aliphatic aminemethyl-branched fatty acidhydroxy acidsecondary aminebranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compoundamine |
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