| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:39 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O8S |
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| Molecular Mass | 324.0627 |
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| SMILES | NC(CCCCN1C(=O)CC(OS(=O)(=O)O)C1=O)C(=O)O |
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| InChI Key | HVJMOLWJXQETEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | sulfated fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximidesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessulfuric acid monoesters |
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| Substituents | 2-pyrrolidonesulfuric acid monoestercarbonyl groupcarboxylic acidheterocyclic fatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealkyl sulfatealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty aciddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclen-alkylpyrrolidinecarboxylic acid imidemonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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