| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:37:43 UTC |
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| Update Date | 2025-03-24 20:50:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01581144 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H11NO3 |
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| Molecular Mass | 145.0739 |
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| SMILES | NCCC=CC(O)C(=O)O |
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| InChI Key | IFLLBEBDOZTSLS-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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