| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:49 UTC |
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| Update Date | 2025-03-21 18:36:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112339 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C13H22N4O3 |
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| Molecular Mass | 282.1692 |
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| SMILES | CCC(C)CC(NC(=O)C(N)Cc1c[nH]cn1)C(=O)O |
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| InChI Key | XVGJNTDJMKTZLB-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupamino fatty acidbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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