Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC

InChIKey

InChIKey=KDWPFEQVBKKOIB-HOHBTGFYSA-N

Formula

C79H141N3O38S

Mass

1773.04

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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

Galb1-4GlcNAcb1-3Galb1-4Glc- (Neolacto series)

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Galb1-4glcnacb1-3galb1-4glcb-cer_backbone - Neuaca2-3galb-cer_backbone - Glycosyl-n-acylsphingosine - Oligosaccharide sulfate - 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 - Fatty acyl - Sulfuric acid ester - Fatty amide - Sulfate-ester - Sulfuric acid monoester - Pyran - Alkyl sulfate - N-acyl-amine - Oxane - Acetamide - Organic sulfuric acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary alcohol - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as galb1-4glcnacb1-3galb1-4glc- (neolacto series). These are neutral glycosphingolipids in which the root sequence of the oligosaccharide moiety is Galb1-4GlcNAcb1-3Galb1-4Glc. The differ from lacto series because of their 1-4 (instead of 1-3) bond between Galb and GlcNacb.

External Descriptors

Not available

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