DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:11 UTC
Update Date	2025-03-21 18:41:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132230
Frequency	19.1
Structure
Chemical Formula	C₁₇H₃₄N₆O₄S
Molecular Mass	418.2362
SMILES	CSCCC(NC(=O)C(N)CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	PKKMDPNFGULLNQ-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 dialkylthioethers guanidines hydrocarbon derivatives imines leucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds peptides secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid guanidine imine fatty amide fatty acid 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 branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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