| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:46 UTC |
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| Update Date | 2025-03-21 18:02:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038012 |
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| Frequency | 92.2 |
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| Structure | |
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| Chemical Formula | C8H14N2O5S |
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| Molecular Mass | 250.0623 |
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| SMILES | NC(CSCCC(=O)C(N)C(=O)O)C(=O)O |
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| InChI Key | IRDPBVPNBRUTPT-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivativessulfenyl compounds |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundbeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioetherorganic oxygen compoundthioetherketo acidcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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