| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:19 UTC |
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| Update Date | 2025-03-25 00:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227314 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5S |
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| Molecular Mass | 208.0405 |
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| SMILES | C=CCS(=O)(=O)CCC(O)C(=O)O |
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| InChI Key | NVKPVXKEYMNBEO-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfones |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidallyl sulfur compoundmonosaccharidehydroxy acidorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxidemonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compoundsulfone |
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