| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:11 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H20N2O5S |
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| Molecular Mass | 280.1093 |
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| SMILES | CSCCC(NC(=O)C(N)CC(=O)O)C(O)CO |
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| InChI Key | MNYKGMSRKRHQFK-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amidefatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcohol1,2-diolalcoholsulfenyl compoundalpha-amino acid amidedialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraspartic acid or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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