| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:29 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200079 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O2S |
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| Molecular Mass | 239.0728 |
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| SMILES | N=C(Nc1ccccc1)SCC(N)C(=O)O |
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| InChI Key | SGKRPIQIHXGDMD-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesiminesisothioureasmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compoundimineorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundisothiourea |
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