| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:43 UTC |
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| Update Date | 2025-03-21 18:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035434 |
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| Frequency | 100.6 |
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| Structure | |
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| Chemical Formula | C5H11NO2 |
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| Molecular Mass | 117.079 |
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| SMILES | COC(=O)C(C)CN |
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| InChI Key | BXGDNKQFNQZCLG-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 | carbonyl compoundshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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