| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O5S |
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| Molecular Mass | 288.078 |
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| SMILES | O=C(O)C(=O)CCCNC(=S)N1CCCC1C(=O)O |
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| InChI Key | LEWUQUHCJCKTBZ-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 | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidsshort-chain keto acids and derivativesthioureas |
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| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidheterocyclic fatty acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesazacyclepyrrolidine carboxylic acid or derivativesorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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