| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:25 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223134 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O6S2 |
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| Molecular Mass | 377.0715 |
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| SMILES | NC(CCCCNC(=S)Nc1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | ARWLMDRGOJOKAE-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-phenylthioureasorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoestersthioureas |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietysulfuric acid monoestercarbonyl groupthioureacarboxylic acidn-phenylthioureaalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidarylsulfateorganic sulfuric acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfated fatty acidsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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