| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:21 UTC |
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| Update Date | 2025-03-25 01:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240910 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO6 |
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| Molecular Mass | 235.1056 |
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| SMILES | CC(C)C(NC(CO)C(O)C(=O)O)C(=O)O |
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| InChI Key | WSVUEBJOZMNZIN-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 | valine 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 compoundsprimary alcoholssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidalpha-hydroxy acidmonosaccharidefatty acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholalcoholsecondary aliphatic aminemethyl-branched fatty acidvaline or derivativeshydroxy acidsecondary aminebranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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