| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:29 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184108 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N4O3S |
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| Molecular Mass | 300.1256 |
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| SMILES | NC(CCCCNC(=O)CCc1c[nH]c(=S)[nH]1)C(=O)O |
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| InChI Key | BKCPAVJNYQOOLT-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesimidazolethionesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty amidefatty acidimidazole-2-thioneorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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