| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:29 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19N3O8S2 |
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| Molecular Mass | 385.0614 |
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| SMILES | NC(CSSCC(NC(=O)C(O)CO)C(=O)NCC(=O)O)C(=O)O |
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| InChI Key | MZXURSZVUUOBFU-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 | 1,2-diolsalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundalpha peptidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcohol1,2-diolalcoholsulfenyl compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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