DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:13:09 UTC
Update Date	2025-03-21 18:32:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093583
Frequency	29.8
Structure
Chemical Formula	C₁₁H₂₀N₂O₈
Molecular Mass	308.122
SMILES	NC(CCC(=O)NCC1(O)OC(CO)C(O)C1O)C(=O)O
InChI Key	IGBHRSPSIYZKTR-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal hydroxy fatty acid primary alcohol organoheterocyclic compound alcohol tetrahydrofuran carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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