DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:33:35 UTC
Update Date	2025-03-21 17:56:10 UTC
HMDB ID	HMDB0029121
Metabolite Identification
DeepMet ID	DMID00000472
Name	Valylarginine
Frequency	12854.6
Structure
Chemical Formula	C₁₁H₂₃N₅O₃
Molecular Mass	273.1801
SMILES	CC(C)C(N)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	IBIDRSSEHFLGSD-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 acid amides alpha amino acids arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid 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 alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine 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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