| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:47 UTC |
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| Update Date | 2025-03-21 18:37:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114686 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C8H15NO4S2 |
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| Molecular Mass | 253.0442 |
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| SMILES | CSCCC(NC(=O)C(O)CS)C(=O)O |
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| InChI Key | NLOIWDZOMNFWIC-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 | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidmonosaccharidefatty acidorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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