| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:26 UTC |
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| Update Date | 2025-03-25 00:53:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202227 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H19N2O2S2+ |
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| Molecular Mass | 239.0882 |
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| SMILES | C[N+](C)(C)CSSCCC(N)C(=O)O |
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| InChI Key | IKUJSABIGJXRCB-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstetraalkylammonium saltsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltdialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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