| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:07 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055329 |
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| Frequency | 83.1 |
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| Structure | |
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| Chemical Formula | C12H20N2O4 |
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| Molecular Mass | 256.1423 |
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| SMILES | CC(C)CC(NC(=O)C1CCCC(=O)N1)C(=O)O |
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| InChI Key | QQHDSGGAUARMBJ-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdelta lactamsheterocyclic fatty acidshydrocarbon derivativesleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxamidespiperidinonessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinonepiperidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amideazacyclen-acyl-alpha-amino acidpiperidinecarboxamidecarboxamide groupbranched fatty aciddelta-lactamalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound2-piperidinecarboxamideorganooxygen compound |
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