DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:13 UTC
Update Date	2025-03-21 18:37:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00118167
Frequency	22.1
Structure
Chemical Formula	C₁₄H₂₆N₆O₆S
Molecular Mass	406.1635
SMILES	N=C(N)NCCCC(NC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	XLRUWNNRUOXNBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acid amides alpha amino acids arginine and derivatives carbonyl compounds carboximidamides carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives guanidines hydrocarbon derivatives imines monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds organosulfur compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives guanidine imine fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide arginine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound alkylthiol organooxygen compound

Showing information for DMID00118167