| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:22 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO8S |
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| Molecular Mass | 285.0518 |
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| SMILES | NC(CCCCC(=O)OCOS(=O)(=O)O)C(=O)O |
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| InChI Key | FRBBNPGNGCAJEC-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 acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic sulfuric acid or derivativesfatty acid esterorganic oxygen compoundsulfated fatty acidcarboxylic acid esterdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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