DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:13 UTC
Update Date	2025-03-21 18:32:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00091289
Frequency	30.7
Structure
Chemical Formula	C₁₁H₂₂N₆O₄
Molecular Mass	302.1703
SMILES	N=C(N)NCCCC(NC(=O)CCC(N)C(=O)O)C(N)=O
InChI Key	CXXSBMYZWZKBLP-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids fatty acids and conjugates glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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