| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:46 UTC |
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| Update Date | 2025-03-21 18:40:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128885 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C10H15N3O8S |
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| Molecular Mass | 337.058 |
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| SMILES | O=NSCC(NC(CCC(=O)O)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | YORJYDKKSYSCLK-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdipeptidesglutamic acid and derivativeshydrocarbon derivativesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundalpha peptidenitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundalpha-amino acid amideglutamic acid or derivativessecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
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