| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:21 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130293 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C9H15NO6 |
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| Molecular Mass | 233.0899 |
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| SMILES | CCC(C)C(NC(C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | MCYABYUWPRKDNH-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsamino acidscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundisoleucine or derivativesorganooxygen compoundamine |
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