| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:05 UTC |
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| Update Date | 2025-03-21 18:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033927 |
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| Frequency | 106.5 |
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| Structure | |
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| Chemical Formula | C7H11NO5 |
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| Molecular Mass | 189.0637 |
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| SMILES | CC(=O)C(NC(C)C(=O)O)C(=O)O |
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| InChI Key | CMBDDKXVGNEIAJ-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 | alanine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsamino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidshort-chain keto acidbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary amineorganic oxygen compoundketo aciddicarboxylic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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