Structure Information
Structure

Compound Identification

SMILES

[NH4+].CCCCCCCCC\C=C\CC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)C(Cl)Cl

InChIKey

InChIKey=YSQWVRQBBZCNAK-HXETWOQXSA-N

Formula

C57H98Cl2N4O31

Mass

1406.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Sphingolipids

Subclass

Glycosphingolipids

Intermediate Tree Nodes

Not available

Direct Parent

Gangliosides

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Neuaca2-3galb1-4glcb-cer_backbone - Glycosyl-n-acylsphingosine - Oligosaccharide - N-acylneuraminic acid - N-acylneuraminic acid or derivatives - Neuraminic acid - N-acyl-alpha-hexosamine - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - C-glycosyl compound - Ketal - Pyran - Oxane - Fatty acyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Carboxylic acid - Polyol - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Alcohol - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gangliosides. These are lipid molecules composed of a glycosphingolipid (ceramide and saccharide) with one or more sialic acids linked on the sugar chain. They are usually oligoglycosylceramides derived from lactosylceramide and containing a sialic acid residue such as N-acetylneuraminic acid.

External Descriptors

Not available

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