| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:55 UTC |
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| Update Date | 2025-03-21 17:58:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00015234 |
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| Frequency | 286.1 |
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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)CCC(=O)C(=O)O |
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| InChI Key | CZCLKIJYAIZUIV-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesamino fatty acidscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativeamino fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidsecondary alcoholorganopnictogen compoundhydrocarbon derivativehydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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