| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:25 UTC |
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| Update Date | 2025-03-21 18:38:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120970 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6S |
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| Molecular Mass | 263.0464 |
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| SMILES | NC(CSC1CC(O)C=C(C(=O)O)O1)C(=O)O |
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| InChI Key | GSAMBHYRWWSWRD-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfenyl compounds |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundmonothioacetaloxacycleorganic oxideorganic oxygen compoundcysteine or derivativesaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidsecondary alcoholdicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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