DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:57:39 UTC
Update Date	2025-03-25 01:15:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02333734
Frequency	0.5
Structure
Chemical Formula	C₅₀H₉₂N₂O₁₄
Molecular Mass	944.6549
SMILES	CCCCCCCCCCCCCC=CC(O)C(COC1OC(C(=O)O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCC
InChI Key	VNTFMGSKAMSPRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	sphingolipids
Subclass	glycosphingolipids
Direct Parent	glycosphingolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alkyl glycosides carbonyl compounds carboxylic acids fatty acyl glycosides of mono- and disaccharides glucuronic acid derivatives hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha-hexosamines o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide carbonyl group carboxylic acid glucuronic acid or derivatives fatty amide o-glucuronide monosaccharide glycosphingolipid carboxylic acid derivative pyran carboxylic acid n-acyl-alpha-hexosamine 1-o-glucuronide saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound oxane primary alcohol organoheterocyclic compound acetamide alcohol pyran carboxylic acid or derivatives fatty acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound alkyl glycoside

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