DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:09 UTC
Update Date	2025-03-25 00:48:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169640
Frequency	0.5
Structure
Chemical Formula	C₁₈H₃₁N₃O₁₀S
Molecular Mass	481.173
SMILES	CC(=O)NC1C(CSCCC(NC(=O)CCC(N)C(=O)O)C(=O)O)OC(CO)C(O)C1O
InChI Key	VUZXKYBLRNXJJK-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids carbonyl compounds carboxylic acids dialkyl ethers dialkylthioethers dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl carbonyl group ether carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives organosulfur compound dialkyl ether saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02169640