| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:16 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250019 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N2O3S2+ |
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| Molecular Mass | 253.0675 |
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| SMILES | C[N+](C)(C)C(CSSCC(N)=O)C(=O)O |
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| InChI Key | YLFMQHMCBQCWBA-UHFFFAOYSA-O |
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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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsaminescarbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compoundstetraalkylammonium salts |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltquaternary ammonium saltcarboxamide groupdialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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