| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:54 UTC |
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| Update Date | 2025-03-21 18:29:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076314 |
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| Frequency | 38.6 |
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| Structure | |
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| Chemical Formula | C10H18N2O5S3 |
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| Molecular Mass | 342.0378 |
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| SMILES | CC(=O)NC(CSC(=S)NCCCCS(=O)O)C(=O)O |
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| InChI Key | FXHAWEARYGOGSR-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 | acetamidesalkanesulfinic acids and derivativesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundssulfinic acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativeorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidesulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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