| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:45 UTC |
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| Update Date | 2025-03-25 00:58:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H20NO2S+ |
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| Molecular Mass | 218.1209 |
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| SMILES | CC=CCSCC(C(=O)O)[N+](C)(C)C |
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| InChI Key | HDOSPUNMTWHTNE-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 acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfenyl compoundstetraalkylammonium salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltdialkylthioetherquaternary ammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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