| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:13 UTC |
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| Update Date | 2025-03-21 18:35:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103536 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C8H13NO5S |
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| Molecular Mass | 235.0514 |
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| SMILES | NC(CCSCC(=O)C(=O)O)CC(=O)O |
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| InChI Key | VQQRSMOZDKIVDQ-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 | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethershort-chain keto acidorganosulfur compoundalpha-hydroxy ketonebeta amino acid or derivativesketoneorganic oxideorganic oxygen compoundthioetherketo acidorganonitrogen compoundalpha-keto aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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