| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:41 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152718 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N4O3S |
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| Molecular Mass | 284.0943 |
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| SMILES | N=C(N)Nc1ccc(S(=O)CCC(N)C(=O)O)cc1 |
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| InChI Key | CVDSPCOAULTAKW-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 homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidamidescarboxylic acidsfatty acylsguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenyl sulfoxidessulfinyl compoundssulfoxidesthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganosulfur compoundorganic oxidephenyl sulfoxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboximidamidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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