Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO[C@@]6(CC(O)[C@@H](NC(C)=O)C(O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@]6(CC(O)[C@@H](NC(C)=O)C(O6)[C@H](O)[C@H](O)CO)C(O)=O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
InChIKey
InChIKey=PPUCTGJYEFCIAN-HVLGWUQASA-N
Formula
C98H174N4O44
Mass
2112.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Sphingolipids
- 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
Neutral glycosphingolipids
Direct Parent
GalNAcb1-3Gala1-4Galb1-4Glc- (Globo 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 Ketals Pyrans Dicarboxylic acids and derivatives Oxanes N-acyl amines Acetamides Secondary alcohols Secondary carboxylic acid amides Polyols Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Gala1-4galb1-4glcb-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 - Ketal - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organonitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organopnictogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as galnacb1-3gala1-4galb1-4glc- (globo series). These are neutral glycosphingolipids in which the root sequence of the oligosaccharide moiety is GalNAcb1-3Gala1-4Galb1-4Glc.
External Descriptors
Not available