| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:02 UTC |
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| Update Date | 2025-03-21 17:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00001569 |
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| Frequency | 3775.3 |
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| Structure | |
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| Chemical Formula | C6H9NO5 |
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| Molecular Mass | 175.0481 |
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| SMILES | NC(CCC(=O)C(=O)O)C(=O)O |
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| InChI Key | CCCRIYHAUQEPGF-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 acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketoneamino fatty acidketoneorganic oxideorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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