DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:00 UTC
Update Date	2025-03-25 00:58:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230985
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₅O₃
Molecular Mass	259.1644
SMILES	CCN=C(N)NCCCC(NC(=O)CN)C(=O)O
InChI Key	CVEBZWYDWLOJLN-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 carbonyl compounds carboximidamides carboxylic acids fatty acids and conjugates guanidines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid guanidine fatty acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound 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 organic 1,3-dipolar compound carboximidamide carboxamide group 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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