| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:55 UTC |
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| Update Date | 2025-03-21 18:36:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112550 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C11H16N2O4S |
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| Molecular Mass | 272.0831 |
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| SMILES | Cc1ncc(CSCC(N)C(=O)O)c(CO)c1O |
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| InChI Key | FQRSDZAWHHJKEU-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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