| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:38 UTC |
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| Update Date | 2025-03-21 18:04:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049655 |
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| Frequency | 66.4 |
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| Structure | |
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| Chemical Formula | C12H21NO3 |
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| Molecular Mass | 227.1521 |
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| SMILES | CCCCCCC=CC(=O)C(N)CC(=O)O |
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| InChI Key | SSRNVCKRPINBDQ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsamino fatty acidscarboxylic acidsenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketoneamino fatty acidbeta amino acid or derivativesgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenonemedium-chain keto acid |
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