DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:45 UTC
Update Date	2025-03-25 01:00:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241822
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₈
Molecular Mass	306.1063
SMILES	CC(O)C(NC(=O)CCC(=O)NC(CO)C(=O)O)C(=O)O
InChI Key	NSXDPNCYWPQUEA-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	alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides serine and derivatives short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound serine or derivatives organooxygen compound

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