| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:23 UTC |
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| Update Date | 2025-03-21 18:37:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113703 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C9H16N2O6S |
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| Molecular Mass | 280.0729 |
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| SMILES | NC(CCC(=O)NC(CS)C(O)C(=O)O)C(=O)O |
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| InChI Key | DJDPYGXUKVEGKT-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsalpha hydroxy acids and derivativesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidglutamine or derivativesalpha-hydroxy acidfatty amidemonosaccharidefatty acidorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholhydroxy acidcarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amidethia fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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