| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:04 UTC |
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| Update Date | 2025-03-21 18:04:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050644 |
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| Frequency | 64.8 |
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| Structure | |
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| Chemical Formula | C12H17NO8S |
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| Molecular Mass | 335.0675 |
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| SMILES | NC(CSC1C(C(=O)O)C(O)C=CC1(O)CC(=O)O)C(=O)O |
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| InChI Key | PSIADKYNMXQNLB-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundstertiary alcoholsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidtertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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