| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:55 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO7 |
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| Molecular Mass | 247.0692 |
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| SMILES | CC(NC(C(=O)O)C(=O)CCC(=O)O)C(=O)O |
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| InChI Key | AOEZQYDGGMMXGE-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 acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminegamma-keto acidorganic oxygen compoundketo acidalanine or derivativeshydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundamine |
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