| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:18 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11NO4S |
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| Molecular Mass | 193.0409 |
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| SMILES | CSC(=O)OCCC(N)C(=O)O |
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| InChI Key | DOCJQTXLOLFKSM-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonothioacetalsorganic carbonic acids and derivativesorganic oxidesorganic thiocarbonic acid derivativesorganonitrogen compoundsorganopnictogen compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidshort-chain hydroxy acidsulfenyl compoundthiocarbonic acid derivativefatty acidorganosulfur compoundmonothioacetalorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactoneorganooxygen compound |
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