DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:10 UTC
Update Date	2025-03-25 00:57:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226980
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₄N₈O₆
Molecular Mass	516.3384
SMILES	CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)C(C)O)C(=O)NC(CCCCN)C(=O)O
InChI Key	IZTBWZYWNADZPX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids guanidines hydrocarbon derivatives hydroxy fatty acids imines leucine and derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group amino fatty acid branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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