DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:56 UTC
Update Date	2025-03-21 18:41:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133927
Frequency	18.8
Structure
Chemical Formula	C₁₂H₂₆N₅O₃+
Molecular Mass	288.203
SMILES	CC(C(=O)NC(CCCNC(=N)N)C(=O)O)[N+](C)(C)C
InChI Key	IQRJVDNQTQNVDO-UHFFFAOYSA-O
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	alanine and derivatives alpha amino acid amides alpha amino acids amines arginine and derivatives carbonyl compounds carboximidamides carboxylic acids fatty acids and conjugates guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty acid alpha-amino acid or derivatives organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboximidamide carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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