| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:47 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017092 |
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| Frequency | 247.9 |
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| Structure | |
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| Chemical Formula | C11H16N4O5S |
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| Molecular Mass | 316.0841 |
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| SMILES | NC(CCC(=O)NC(Cc1c[nH]c(=S)[nH]1)C(=O)O)C(=O)O |
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| InChI Key | IFPLVQMZLGYKGA-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amideimidazole-2-thionealpha-amino acid or derivativesorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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