DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:49 UTC
Update Date	2025-03-21 18:31:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085682
Frequency	33.3
Structure
Chemical Formula	C₁₀H₁₈N₂O₅
Molecular Mass	246.1216
SMILES	CC(=O)NCCCC(=O)NC(C(=O)O)C(C)O
InChI Key	SDJQBHJOPWSQIY-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives fatty amide fatty acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid acetamide alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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