| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:56 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO4S |
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| Molecular Mass | 235.0878 |
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| SMILES | CC(=O)NC(CSCCCCO)C(=O)O |
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| InChI Key | LHRFRIVIYPFULZ-UHFFFAOYSA-N |
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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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalcohols and polyolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidealcoholsulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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