DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:51 UTC
Update Date	2025-03-21 18:06:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064157
Frequency	48.0
Structure
Chemical Formula	C₁₄H₂₂N₄O₉
Molecular Mass	390.1387
SMILES	NC(=O)CCC(NC(=O)C(CC(=O)O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	KKSJLQFPOXKLFF-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	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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