| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:09 UTC |
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| Update Date | 2025-03-21 18:28:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072112 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C6H9NO6 |
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| Molecular Mass | 191.043 |
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| SMILES | NC(C(=O)O)C(O)CC(=O)C(=O)O |
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| InChI Key | AKVRDTQCUXQIHT-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidsbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketoneketonebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholhydroxy acidamino fatty acidorganic oxygen compoundketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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