| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:12 UTC |
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| Update Date | 2025-03-21 18:07:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067416 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C10H17N3O8S |
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| Molecular Mass | 339.0736 |
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| SMILES | NC(CCC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | DMAPAHUEYHXRFI-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acyl glycinesalkanesulfinic acids and derivativesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativessulfinic acid derivativefatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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