Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@@]4(CC(O)[C@@H](NC(C)=O)C(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@]5(CC(O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@@H](CO)O[C@@]5(CC(O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC

InChIKey

InChIKey=UDNZEFGWDFSBJR-YFMLVNDQSA-N

Formula

C99H173N5O47

Mass

2185.461

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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

GalNAcb1-4Galb1-4Glc- (Ganglio series)

Alternative Parents

Gangliosides Glycosyl-N-acylsphingosines Oligosaccharides N-acylneuraminic acids Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Tricarboxylic acids and derivatives Ketals Oxanes Pyrans N-acyl amines Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Galnacb1-4galb1-4glcb-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 - Tricarboxylic acid or derivatives - Ketal - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Acetal - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Aliphatic heteromonocyclic compound

Description

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

External Descriptors

LIPIDMAPS (LMSP0601CT04) : Gangliosides

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