| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:26 UTC |
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| Update Date | 2025-03-21 18:04:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049187 |
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| Frequency | 67.1 |
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| Structure | |
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| Chemical Formula | C9H19N2O4S+ |
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| Molecular Mass | 251.106 |
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| SMILES | C[N+](C)(C)C(CSCC(N)C(=O)O)C(=O)O |
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| InChI Key | GHLMWHHHLNGBBD-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 salts |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltsulfenyl compoundtetraalkylammonium saltdialkylthioetherquaternary ammonium saltorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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