DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:06 UTC
Update Date	2025-03-25 00:54:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203754
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃NO₄S
Molecular Mass	301.1348
SMILES	O=C(O)CCCCC1SCC2NC(CCC(=O)O)CC21
InChI Key	ZQFNXMQNQCKCMY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	medium-chain fatty acids
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dialkylthioethers dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives organic oxides organopnictogen compounds pyrrolidines thiolanes
Substituents	thiolane carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid carboxylic acid derivative aliphatic heteropolycyclic compound organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound secondary aliphatic amine azacycle dialkylthioether secondary amine organic oxygen compound thioether dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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