| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:34 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161447 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O6S |
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| Molecular Mass | 323.1151 |
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| SMILES | NCCCCC(NS(=O)(=O)N1CCCC1C(=O)O)C(=O)O |
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| InChI Key | SIRPDYOAJFPRGR-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 acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine carboxylic acidssulfuric acid diamides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidineorganoheterocyclic compoundproline or derivativesorganic sulfuric acid or derivativesazacyclesulfuric acid diamidepyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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