DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:12 UTC
Update Date	2025-03-21 17:56:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004335
Frequency	1356.8
Structure
Chemical Formula	C₁₀H₂₁N₅O₃
Molecular Mass	259.1644
SMILES	N=C(N)NCCCC(NC(=O)CCCN)C(=O)O
InChI Key	RWVVCWHSHOUJBD-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 fatty acids and conjugates gamma amino acids and derivatives 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 gamma amino acid or derivatives guanidine imine fatty amide fatty acid organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound 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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