| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055093 |
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| Frequency | 58.2 |
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| Structure | |
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| Chemical Formula | C5H11NO4S |
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| Molecular Mass | 181.0409 |
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| SMILES | NC(C(=O)O)C(O)C(O)CS |
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| InChI Key | QRQTUTKLODCCKN-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 | 1,2-diolsalkylthiolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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