DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:09 UTC
Update Date	2025-03-25 00:49:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171935
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₂N₆O₃
Molecular Mass	274.1753
SMILES	CN=C(N)NCCCC(N)NC(=O)C(N)CC(=O)O
InChI Key	AVHLXUGVKNFMLN-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	aspartic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboximidamides carboxylic acids fatty acids and conjugates guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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