DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:32 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184234
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₂O₈
Molecular Mass	308.122
SMILES	NC(CCC(=O)NC(CC(O)C(=O)O)C(O)CO)C(=O)O
InChI Key	FNPKWLJDLVVZLT-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives alpha-hydroxy acid fatty amide fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid primary alcohol alcohol hydroxy acid carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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