| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:01 UTC |
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| Update Date | 2025-03-25 01:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253933 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24N2O6 |
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| Molecular Mass | 328.1634 |
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| SMILES | CC(C)CC(NC(=O)CCC(=O)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | XMCJSJMUAMQDIF-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmethyl-branched fatty acidsn-acyl aminesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidine carboxylic acidssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amiden-acylpyrrolidinefatty acidorganic oxideleucine or derivativespyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesmethyl-branched fatty acidazacyclen-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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