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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Sphingolipids
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Subclass
Glycosphingolipids
- Level 5 Gangliosides
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Subclass
Glycosphingolipids
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Class
Sphingolipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Sphingolipids
Subclass
Glycosphingolipids
Intermediate Tree Nodes
Not available
Direct Parent
Gangliosides
Alternative Parents
Glycosyl-N-acylsphingosines Oligosaccharides N-acylneuraminic acids Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Ketals Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Primary alcohols Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic zwitterions Alkyl chlorides Organic salts Organic oxides
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