| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:14 UTC |
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| Update Date | 2025-03-25 00:54:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206324 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12N2O7S |
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| Molecular Mass | 280.0365 |
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| SMILES | NC(CS(=O)CC(=O)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | WQMXINYKFDYKPD-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 acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundketoneorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarboxamide groupn-acylglycinesecondary carboxylic acid amideorganic oxygen compoundsulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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