| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:14 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O8S2 |
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| Molecular Mass | 368.0348 |
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| SMILES | NC(CSSCC(=O)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | XDJZBZFKZWXUPS-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarboxylic acidscysteine and derivativesdialkyldisulfideshydrocarbon derivativesketonesmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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