DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:08 UTC
Update Date	2025-03-25 00:59:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238128
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₅N₃O₅
Molecular Mass	327.1794
SMILES	O=C(O)CCCCC1NC(CCCCC(=O)O)C2NC(=O)NC12
InChI Key	LQUWOZQRVODSHN-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 amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives imidazolidinones organic carbonic acids and derivatives organic oxides organopnictogen compounds pyrrolidines
Substituents	imidazolidine carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid carboxylic acid derivative aliphatic heteropolycyclic compound imidazolidinone organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound secondary aliphatic amine carbonic acid derivative azacycle secondary amine amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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