DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:56 UTC
Update Date	2025-03-21 17:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024156
Frequency	161.8
Structure
Chemical Formula	C₁₁H₁₈N₂O₆
Molecular Mass	274.1165
SMILES	O=C(CCN1CCC1C(=O)O)NCCC(O)C(=O)O
InChI Key	IAEHVXUUTFRRMU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino acids azacyclic compounds azetidinecarboxylic acids azetidines beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monosaccharides organic oxides organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid amino acid heterocyclic fatty acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide fatty acid azetidinecarboxylic acid alpha-amino acid or derivatives saccharide organic oxide aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound hydroxy fatty acid tertiary amine organoheterocyclic compound alcohol azacycle tertiary aliphatic amine hydroxy acid carboxamide group beta amino acid or derivatives azetidine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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