DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:05 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156009
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₃N₉O₅S
Molecular Mass	545.3108
SMILES	CSCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(N)CCC(N)=O)C(N)=O
InChI Key	RYSNWWPBYZDLHX-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 glutamine and derivatives guanidines hydrocarbon derivatives imines leucine 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 glutamine or derivatives guanidine imine fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound 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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