DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:47 UTC
Update Date	2025-03-21 18:05:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054535
Frequency	82.3
Structure
Chemical Formula	C₁₃H₂₅N₅O₅
Molecular Mass	331.1856
SMILES	CN(C)C(N)=NCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	DOMKWDUMXDRBNR-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 carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives guanidines hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine fatty amide fatty acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00054535