| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:45 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063949 |
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| Frequency | 48.2 |
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| Structure | |
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| Chemical Formula | C14H24N4O9S2 |
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| Molecular Mass | 456.0985 |
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| SMILES | NC(CCC(=O)NC(CSSCC(N)C(=O)O)C(NCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | MXCMWQLSWUERAZ-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 acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfideshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstetracarboxylic acids and derivativesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesamino acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundtetracarboxylic acid or derivativessecondary aminecarboxamide groupn-acyl-aminesecondary carboxylic acid amidedialkyldisulfidethia fatty acidorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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