DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:06 UTC
Update Date	2025-03-25 00:46:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02158236
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈O₅S
Molecular Mass	250.0875
SMILES	O=C(O)CSCCCCCC(O)CC(=O)O
InChI Key	DGLSOSFUSWAMCL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic oxides secondary alcohols sulfenyl compounds
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid sulfenyl compound dialkylthioether fatty acid organosulfur compound carboxylic acid derivative medium-chain hydroxy acid beta-hydroxy acid organic oxide organic oxygen compound thioether secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

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