| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:49 UTC |
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| Update Date | 2025-03-21 18:04:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050076 |
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| Frequency | 65.7 |
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| Structure | |
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| Chemical Formula | C6H10O5S |
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| Molecular Mass | 194.0249 |
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| SMILES | O=C(O)CSCC(O)CC(=O)O |
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| InChI Key | BIBJEYJGZOLMSF-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 | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxidethia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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