DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:50 UTC
Update Date	2025-03-21 18:00:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00028593
Frequency	131.5
Structure
Chemical Formula	C₉H₁₇NO₂
Molecular Mass	171.1259
SMILES	O=C(O)CCCCC1CCCN1
InChI Key	GMESXZHVVXQLOM-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 heteromonocyclic compounds
Alternative Parents	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines heterocyclic fatty acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds pyrrolidines
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound secondary aliphatic amine azacycle secondary amine amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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