| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:30 UTC |
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| Update Date | 2025-03-21 18:40:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130640 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C8H13NO3 |
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| Molecular Mass | 171.0895 |
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| SMILES | C=CC(=O)CCCC(N)C(=O)O |
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| InChI Key | XHUSFYUCSFFVIY-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 | acryloyl compoundsamino fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneamino fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenone |
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