Compound Identification
SMILES
CCCCCCCCCCCCC\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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](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=XSHDQEDQMSSRGV-DQPFQGCTSA-N
Formula
C57H97Cl2N3O31
Mass
1391.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Primary alcohols Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides Alkyl chlorides 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 - C-glycosyl compound - O-glycosyl compound - Glycosyl compound - Ketal - Pyran - Fatty acyl - Oxane - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Alkyl chloride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Alkyl halide - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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