Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:46:56 UTC |
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Update Date | 2025-03-21 18:01:08 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00031192 |
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Frequency | 118.4 |
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Structure | |
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Chemical Formula | C13H22N2O4 |
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Molecular Mass | 270.158 |
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SMILES | CC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O |
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InChI Key | ZXQDYBJTDFUFSJ-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 | dipeptides |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesleucine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidestertiary carboxylic acid amides |
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Substituents | carbonyl groupcarboxylic acidn-acylpyrrolidinealpha-amino acid or derivativesorganic oxideleucine or derivativespyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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