| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:50 UTC |
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| Update Date | 2025-03-21 18:39:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124243 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C4H7NO5S |
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| Molecular Mass | 181.0045 |
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| SMILES | NC(C(=O)O)C(=O)CS(=O)O |
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| InChI Key | UNQZVFAZYMHOLS-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 | 1,3-dicarbonyl compoundsalkanesulfinic acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsshort-chain keto acids and derivativessulfinic acidsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativeshort-chain keto acidorganosulfur compoundbeta-keto acidsulfinic acidketonealkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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