DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:37 UTC
Update Date	2025-03-21 18:30:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082858
Frequency	48.1
Structure
Chemical Formula	C₉H₁₉N₅O₃
Molecular Mass	245.1488
SMILES	CNC(=N)NCCCC(N)C(=O)NCC(=O)O
InChI Key	NIQXYUUKOOKSJX-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids dipeptides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboximidamide carboxamide group n-acyl-amine n-acylglycine 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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