| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:16 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4S |
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| Molecular Mass | 206.0613 |
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| SMILES | CCC(=O)CSCCC(O)C(=O)O |
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| InChI Key | BAFSGCNEZNZNRT-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharideorganosulfur compoundcarboxylic acid derivativeketonesaccharideorganic oxidehydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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