DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:27 UTC
Update Date	2025-03-25 00:50:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184041
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈N₂O₇
Molecular Mass	290.1114
SMILES	NC(CCCC(=O)O)CC(=O)NC(CC(=O)O)C(=O)O
InChI Key	JGQASYWAWJLQMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids aspartic acid and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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