DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:56 UTC
Update Date	2025-03-25 00:52:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196450
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈O₃
Molecular Mass	256.2038
SMILES	CCC1(C)CCCC(C)(CCCC(C)C(=O)O)O1
InChI Key	WZUIWLBTCPTJPB-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 heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dialkyl ethers heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides oxacyclic compounds oxanes
Substituents	fatty acyl carbonyl group ether carboxylic acid methyl-branched fatty acid heterocyclic fatty acid fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid dialkyl ether oxacycle organic oxide monocarboxylic acid or derivatives organic oxygen compound aliphatic heteromonocyclic compound hydrocarbon derivative medium-chain fatty acid oxane organoheterocyclic compound organooxygen compound

Showing information for DMID02196450