| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:22 UTC |
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| Update Date | 2025-03-21 18:04:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049007 |
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| Frequency | 73.1 |
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| Structure | |
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| Chemical Formula | C9H16N2O3S |
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| Molecular Mass | 232.0882 |
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| SMILES | NC(CCSCC1CCC(=O)N1)C(=O)O |
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| InChI Key | RNQANDHIKOIETI-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioethercarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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