| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:53 UTC |
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| Update Date | 2025-03-21 18:30:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081149 |
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| Frequency | 35.7 |
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| Structure | |
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| Chemical Formula | C6H13NO2S |
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| Molecular Mass | 163.0667 |
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| SMILES | CSCCC(CN)C(=O)O |
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| InChI Key | QNMCQXHZGPOKQR-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundbranched fatty acidbeta amino acid or derivativesorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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