| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:47 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109818 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C6H11NO4 |
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| Molecular Mass | 161.0688 |
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| SMILES | NCC(O)CC(=O)CC(=O)O |
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| InChI Key | WWUPBNAJUCHBPS-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeamino fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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