Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)[C@H](O[C@@]5(CC(O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC

InChIKey

InChIKey=ITTGMOMVRBYCJI-PHQZQGACSA-N

Formula

C103H181N5O46

Mass

2225.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Sphingolipids

Subclass

Glycosphingolipids

Intermediate Tree Nodes

Neutral glycosphingolipids

Direct Parent

GalNAcb1-3Gala1-3Galb1-4Glc- (Isoglobo series)

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Gala1-3galb1-4glcb-cer_backbone - Glycosyl-n-acylsphingosine - Oligosaccharide - N-acylneuraminic acid or derivatives - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organopnictogen compound - Carbonyl group - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as galnacb1-3gala1-3galb1-4glc- (isoglobo series). These are neutral glycosphingolipids in which the root sequence of the oligosaccharide moiety is GalNAcb1-3Gala1-3Galb1-4Glcb. The differ from lacto series because of their 1-3 (instead of 1-4) bond between Gala and Glacb.

External Descriptors

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