| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:56 UTC |
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| Update Date | 2025-03-21 18:35:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107734 |
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| Frequency | 39.9 |
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| Structure | |
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| Chemical Formula | C8H11NO6 |
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| Molecular Mass | 217.0586 |
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| SMILES | O=C(O)CN=C(O)CCC(=O)CC(=O)O |
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| InChI Key | YMSCNNXHIMXJKJ-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 | amino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboximidic acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidbeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundamino fatty acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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