DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:28 UTC
Update Date	2025-03-25 00:48:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168111
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈N₄O₆
Molecular Mass	290.1226
SMILES	CC(N)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)O
InChI Key	FXKNPWNXPQZLES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids asparagine and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives primary alcohol n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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