| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:28 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O7S |
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| Molecular Mass | 320.0678 |
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| SMILES | NC(CCCCn1c(OS(=O)(=O)O)cccc1=O)C(=O)O |
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| InChI Key | PXZBMPZZRNDLCF-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha amino acidsarylsulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridineslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidarylsulfate2-halopyridineorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsulfated fatty acidsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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