| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:10 UTC |
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| Update Date | 2025-03-25 00:46:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O7S4 |
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| Molecular Mass | 434.031 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(NC(=O)CCS(=O)(=O)O)C(=O)O |
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| InChI Key | FHKRWKYLIPPXNQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfenyl compoundssulfinyl compoundssulfonylssulfoxides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativescysteine or derivativessulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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