| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:59 UTC |
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| Update Date | 2025-03-21 18:36:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110316 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C11H18N4O3S |
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| Molecular Mass | 286.11 |
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| SMILES | CC(C)C(NC(=O)C(N)Cc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | FWHRCQKJEVTBML-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioureasvaline and derivatives |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundfatty amideimidazole-2-thionealpha-amino acid or derivativesorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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