| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO6S |
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| Molecular Mass | 249.0307 |
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| SMILES | NC(CSC(CC(O)=C=O)C(=O)O)C(=O)O |
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| InChI Key | IGGQVEQYGGWVQY-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 acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acidsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidsulfenyl compounddialkylthioetherthia fatty acidorganic oxygen compoundynolatethioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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