| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:59 UTC |
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| Update Date | 2025-03-25 01:01:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247108 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O3 |
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| Molecular Mass | 240.1474 |
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| SMILES | CCC(C)C(NC(=O)C1CCC=CN1)C(=O)O |
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| InChI Key | RQGCPWKFLTULPA-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 acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesfatty acylsheterocyclic fatty acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestetrahydropyridines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminemethyl-branched fatty acidalpha-amino acid amideazacyclen-acyl-alpha-amino acidtetrahydropyridinesecondary aminecarboxamide groupbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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