| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:43 UTC |
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| Update Date | 2025-03-25 00:51:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO6S |
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| Molecular Mass | 321.1246 |
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| SMILES | NC(CSC(=O)CC(O)CCCCCCC(=O)O)C(=O)O |
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| InChI Key | BXYXKDRRJPGNSE-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthioestersthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundmedium-chain hydroxy acidcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidfatty acyl thioesterthiolactonealcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganic oxygen compoundcysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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