| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055092 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C7H9NO6S |
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| Molecular Mass | 235.0151 |
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| SMILES | NC(CSC1OC(=O)C(O)=C1O)C(=O)O |
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| InChI Key | BAEHTYUUIOQZDB-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 acidsbutenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativeslactonesmonoalkylaminesmonosaccharidesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundmonothioacetallactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compounddihydrofuranenoate estersulfenyl compoundoxacyclevinylogous acidorganic oxygen compoundcysteine or derivativescarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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