| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:09 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206134 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O3S |
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| Molecular Mass | 283.0991 |
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| SMILES | NC(=O)NCCSCc1ccc(C(N)C(=O)O)cc1 |
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| InChI Key | JGKFSPZZHQAPNG-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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