| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:07 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N4O9S |
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| Molecular Mass | 408.0951 |
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| SMILES | NC(CCC(=O)NC(CCC(=O)C(=O)O)NC(CSN=O)C(=O)O)C(=O)O |
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| InChI Key | SRWVLGAUPYKVSI-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 | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidscarboxylic acidscysteine and derivativesdialkylamineshydrocarbon derivativesmonoalkylaminesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amidetricarboxylic acid or derivativesorganosulfur compoundalpha-hydroxy ketonenitrosothiolketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundsecondary aliphatic amineorganic nitroso compoundsulfenyl compoundsecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundketo acidcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminenitrosothiol-group |
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