| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:30 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23N2O6S+ |
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| Molecular Mass | 323.1271 |
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| SMILES | C[N+](C)(C)C(CSCCC(NCC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | AHDDNJNSMXRAMQ-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssulfenyl compoundstetraalkylammonium saltsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltsecondary aliphatic aminesulfenyl compoundtetraalkylammonium saltdialkylthioetherquaternary ammonium saltsecondary aminethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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