DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:04 UTC
Update Date	2025-03-21 17:59:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024457
Frequency	166.5
Structure
Chemical Formula	C₁₁H₂₃N₅O₃
Molecular Mass	273.1801
SMILES	N=C(N)NCCCC(NC(=O)CCCCN)C(=O)O
InChI Key	MITPBRPCYAYRLG-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	arginine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboximidamides carboxylic acids delta amino acids and derivatives fatty acids and conjugates 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
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine 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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