| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:53 UTC |
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| Update Date | 2025-03-21 18:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035837 |
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| Frequency | 99.1 |
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| Structure | |
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| Chemical Formula | C10H21N2O4S+ |
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| Molecular Mass | 265.1217 |
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| SMILES | C[N+](C)(C)C(CSCCC(N)C(=O)O)C(=O)O |
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| InChI Key | ZFZGEJRABWQSPJ-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 acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfenyl compoundstetraalkylammonium saltsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltdialkylthioetherquaternary ammonium saltthia fatty acidorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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