| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:12 UTC |
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| Update Date | 2025-03-21 18:05:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057892 |
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| Frequency | 54.7 |
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| Structure | |
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| Chemical Formula | C8H15NO4S |
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| Molecular Mass | 221.0722 |
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| SMILES | CC(O)C(=O)CCSCC(N)C(=O)O |
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| InChI Key | QOLZCIHRBBUSKK-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 | acyloinsalpha amino acidsalpha-hydroxy ketonescarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundalpha-hydroxy ketoneketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesacyloinsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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