| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:09 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098438 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C10H17N3O6S |
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| Molecular Mass | 307.0838 |
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| SMILES | CC(=O)NC(CSCCC(NC(N)=O)C(=O)O)C(=O)O |
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| InChI Key | XVSGPDKRJBLPLD-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidecarbonic acid derivativesulfenyl compoundn-acyl-alpha-amino aciddialkylthioethern-carbamoyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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