| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:10 UTC |
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| Update Date | 2025-03-25 00:46:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153882 |
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| Frequency | 0.5 |
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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(=O)C(N)O)C(=O)O |
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| InChI Key | QOTYZOZTIQJOBX-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 | alkanolaminesalpha-hydroxy ketonesamino acidscarboxylic acidsdialkylaminesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxidesthiohemiaminal derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidmonosaccharideorganosulfur compoundalpha-hydroxy ketoneketonesaccharideorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundalkanolaminesecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundthioethersulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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