| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:43 UTC |
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| Update Date | 2025-03-21 18:32:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092521 |
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| Frequency | 30.2 |
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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(CC(=O)C(O)C(=O)O)C(=O)O |
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| InChI Key | ZJBRHTNLWQAFKX-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesamino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholhydroxy acidamino fatty acidgamma-keto acidorganic oxygen compoundketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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