DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:43 UTC
Update Date	2025-03-25 00:49:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173224
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₈N₆O
Molecular Mass	272.2325
SMILES	CCC(C)C(N)C(=O)NC(N)CCCNC(N)=NC
InChI Key	SQHXKHONFRRVDN-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	isoleucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboximidamides carboxylic acids and derivatives guanidines hydrocarbon derivatives imines monoalkylamines 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 guanidine imine fatty amide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives alpha-amino acid amide organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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