| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:58:42 UTC |
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| Update Date | 2025-03-21 18:05:48 UTC |
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| HMDB ID | HMDB0246938 |
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| Metabolite Identification |
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| DeepMet ID | DMID00059080 |
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| Name | 2-Amino-3-methyl-1-pyrrolidin-1-YL-butan-1-one |
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| Frequency | 53.3 |
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| Structure | |
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| Chemical Formula | C9H18N2O |
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| Molecular Mass | 170.1419 |
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| SMILES | CC(C)C(N)C(=O)N1CCCC1 |
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| InChI Key | IHBAVXVTGLANPI-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 | valine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupalpha-amino acid amideazacyclevaline or derivativesn-acylpyrrolidinecarboxamide grouporganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
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