| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:13 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206289 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO4S |
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| Molecular Mass | 255.0565 |
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| SMILES | NC(CSCc1ccc2c(c1)OCO2)C(=O)O |
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| InChI Key | AWDUFULYWNPEAR-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsbenzenoidsbenzodioxolescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundbenzodioxolesulfenyl compounddialkylthioetheroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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