| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:56 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O3 |
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| Molecular Mass | 242.163 |
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| SMILES | CCC(C)C(N)C(=O)N1CCCC1C(=O)CO |
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| InChI Key | LUDHYWZBZVHQQN-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 | alcohols and polyolsalpha amino acid amidesalpha amino acidsazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupalpha-amino acid amideazacyclen-acylpyrrolidinecarboxamide groupketoneorganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidineisoleucine or derivativesorganoheterocyclic compoundorganooxygen compound |
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