| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:52 UTC |
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| Update Date | 2025-03-25 00:47:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO3S |
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| Molecular Mass | 217.0773 |
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| SMILES | CC(NC(=O)C1CCCCS1)C(=O)O |
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| InChI Key | BGYBKQGZHWFCOP-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 heteromonocyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesthianes |
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| Substituents | carbonyl groupcarboxylic acidn-acyl-alpha-amino aciddialkylthioethercarboxamide groupsecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundthiane |
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