| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:05 UTC |
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| Update Date | 2025-03-21 18:29:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079219 |
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| Frequency | 36.8 |
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| Structure | |
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| Chemical Formula | C9H21N2O2S+ |
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| Molecular Mass | 221.1318 |
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| SMILES | C[N+](C)(C)CCSCCC(N)C(=O)O |
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| InChI Key | VAPZGADYYMVXTM-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 | aminescarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen 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 saltdialkylthioetherquaternary ammonium saltmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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