| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:24 UTC |
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| Update Date | 2025-03-25 00:53:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202177 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21NO6S3 |
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| Molecular Mass | 359.0531 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(O)C(O)C(O)C(=O)O |
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| InChI Key | WCIFBDQSRLRXMI-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxidesulfinyl compoundorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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