DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:03 UTC
Update Date	2025-03-25 01:01:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247265
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₄N₈O₄S₂
Molecular Mass	548.2927
SMILES	CCC(C)C(NC(=O)C(CCSC)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(CCSC)C(N)=O
InChI Key	VATJNFJYDABJKM-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 carbonyl compounds carboximidamides carboxylic acids and derivatives dialkylthioethers guanidines hydrocarbon derivatives imines isoleucine and derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group guanidine imine fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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