| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:49 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109893 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C11H22N2O2 |
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| Molecular Mass | 214.1681 |
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| SMILES | CCC(C)C(N)C(=O)N1CCCC1CO |
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| InChI Key | SPNCWNMKHUMGJB-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 | isoleucine 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 compoundsprimary alcoholstertiary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupalpha-amino acid amideazacyclen-acylpyrrolidinecarboxamide grouporganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidineprimary alcoholisoleucine or derivativesorganoheterocyclic compoundorganooxygen compound |
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