| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:55 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O4 |
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| Molecular Mass | 321.1689 |
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| SMILES | CCC(C)C(N)C(=O)NC(Cc1c[nH]c2c1CCC2=O)C(=O)O |
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| InChI Key | QHESHKKUEVTEFC-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketonefatty amidealpha-amino acid or derivativesketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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