DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:03 UTC
Update Date	2025-03-21 18:00:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00029094
Frequency	155.2
Structure
Chemical Formula	C₁₁H₂₂N₄O₃
Molecular Mass	258.1692
SMILES	CCC(C)C(NC(=O)CCCNC(=N)N)C(=O)O
InChI Key	XNLRIQTVKKICCB-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 acids carbonyl compounds carboximidamides carboxylic acids gamma amino acids and derivatives guanidines hydrocarbon derivatives imines methyl-branched fatty acids 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 organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboximidamide carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID00029094