| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:20 UTC |
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| Update Date | 2025-03-21 18:35:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103813 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C10H20N2O5S2 |
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| Molecular Mass | 312.0814 |
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| SMILES | CS(=O)CCCCNC(SCC(N)C(=O)O)C(=O)O |
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| InChI Key | RLRTWFKPMLBJJA-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 | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxidesthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary amineorganic oxygen compoundthioethercysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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