DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:27:22 UTC
Update Date	2025-03-24 22:04:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01984352
Frequency	0.6
Structure
Chemical Formula	C₅₆H₉₅N₃O₃₄
Molecular Mass	1353.5797
SMILES	CCCCCCCCCCCC(O)CC(=O)OC1OC(CO)C(O)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2NC(C)=O)C1O
InChI Key	GYNTYJUFMHZORV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl glycosides beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acid esters carboxylic acids fatty acid esters fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives ketals monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid monosaccharide tricarboxylic acid or derivatives carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine beta-hydroxy acid organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide fatty acid ester pyran carboxylic acid ester secondary alcohol hydrocarbon derivative organic nitrogen compound alkyl glycoside

Showing information for DMID01984352