DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:47 UTC
Update Date	2025-03-25 00:58:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230504
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₅O₅
Molecular Mass	317.1699
SMILES	CN=C(NC)NCCCC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	YVLUVRHVPWCJNB-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 arginine and derivatives asparagine and derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates guanidines hydrocarbon derivatives imines 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 guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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