Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO[C@@]6(CC(O)[C@@H](NC(C)=O)C(O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@]6(CC(O)[C@@H](NC(C)=O)C(O6)[C@H](O)[C@H](O)CO)C(O)=O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

InChIKey

InChIKey=PPUCTGJYEFCIAN-HVLGWUQASA-N

Formula

C98H174N4O44

Mass

2112.454

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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

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

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Gala1-4galb1-4glcb-cer_backbone - Neuaca2-3galb-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 - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organonitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organopnictogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as galnacb1-3gala1-4galb1-4glc- (globo series). These are neutral glycosphingolipids in which the root sequence of the oligosaccharide moiety is GalNAcb1-3Gala1-4Galb1-4Glc.

External Descriptors

Not available

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