| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:08 UTC |
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| Update Date | 2025-03-21 18:41:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136650 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C6H13NO4S |
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| Molecular Mass | 195.0565 |
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| SMILES | NCCSCC(O)C(O)C(=O)O |
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| InChI Key | JNCCGFNQXQWDME-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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