DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:34 UTC
Update Date	2025-03-25 00:48:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168332
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₃N₉O₆
Molecular Mass	529.3336
SMILES	CC(C)C(NC(=O)C(CCCCN)NC(=O)C(N)CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	JABVUZDAZMCSLU-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 arginine and derivatives branched fatty acids carbonyl compounds carboximidamides carboxylic acids glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboximidamide carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid 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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