| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:31 UTC |
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| Update Date | 2025-03-21 17:58:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014352 |
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| Frequency | 307.6 |
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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 | CC(C)C(NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | HBFKOVPWCBOJBU-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivativesvaline and derivatives |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupcarboxylic acidamino acidvaline or derivativestricarboxylic acid or derivativessecondary amineorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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