| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:04 UTC |
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| Update Date | 2025-03-25 00:46:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155982 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O5S |
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| Molecular Mass | 300.078 |
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| SMILES | CSCCC(N=CC=C1CC(C(=O)O)NC1=O)C(=O)O |
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| InChI Key | XTAKKMNLIAUFOA-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundsoxoprolinespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidspyrrolidine-2-onessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidimineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundproline or derivativesoxoprolinesulfenyl compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidethia fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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