DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:18:55 UTC
Update Date	2025-03-25 01:00:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244583
Frequency	0.5
Structure
Chemical Formula	C₃₈H₆₁N₃O₁₇S
Molecular Mass	863.3722
SMILES	CCCCCC=CCC=CC=CC=CC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O
InChI Key	XFHIWXCCWRZJAD-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 heteromonocyclic compounds
Alternative Parents	acetals acyl glycines alkyl glycosides alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers dicarboxylic acids and derivatives fatty acyl glycosides of mono- and disaccharides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines 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
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide alpha-amino acid or derivatives organosulfur compound saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound alkyl glycoside

Showing information for DMID02244583