| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:43 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H23N3O7S3 |
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| Molecular Mass | 405.0698 |
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| SMILES | CS(=O)CCCCNC(SCC(N)C(=O)NCC(=O)O)S(=O)(=O)O |
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| InChI Key | YXXAIIJKXHLWGY-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 acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfonylssulfoxides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidorganosulfur compoundalpha peptideorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundalpha-amino acid amidedialkylthioethersecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesthioethercysteine or derivativessulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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