| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:59 UTC |
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| Update Date | 2025-03-21 18:02:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036104 |
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| Frequency | 98.2 |
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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(C(=O)O)C(O)CS)C(=O)O |
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| InChI Key | UUQGWQJRTRYPMN-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic 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 derivativesfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhydroxy acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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