| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:35 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106905 |
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| Frequency | 25.2 |
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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 | CNC(CCS(=O)O)C(=O)O |
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| InChI Key | YYJZPRSQTHADFM-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 | alkanesulfinic acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundssulfinic acidsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidsulfinic acid derivativefatty acidorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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