| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:24 UTC |
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| Update Date | 2025-03-21 18:41:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132717 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C8H9NO6 |
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| Molecular Mass | 215.043 |
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| SMILES | O=C=C(CCC(=O)C(=O)O)NCC(=O)O |
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| InChI Key | FUEJENDLYBBJSY-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 acidsamino fatty acidscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesorganopnictogen compoundsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary amineamino fatty acidorganic oxygen compoundynolateketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminemedium-chain keto acid |
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