Compound Identification
SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(CO[C@@H]9OC(CO)[C@@H](O[C@@H]%10OC(CO)[C@H](O)[C@H](O[C@@]%11(CC(O)[C@@H](NC(C)=O)C(O%11)[C@H](O)[C@H](O)CO)C(O)=O)C%10O)[C@H](O)C9NC(C)=O)[C@H](O)[C@H](O[C@@H]9OC(CO)[C@@H](O[C@@H]%10OC(CO)[C@H](O)[C@H](O[C@@]%11(CC(O)[C@@H](NC(C)=O)C(O%11)[C@H](O)[C@H](O)CO)C(O)=O)C%10O)[C@H](O)C9NC(C)=O)C8O)[C@H](O)C7NC(C)=O)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O[C@@]9(CC(O)[C@@H](NC(C)=O)C(O9)[C@H](O)[C@H](O)CO)C(O)=O)C8O)[C@H](O)C7NC(C)=O)C6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@]7(CC(O)[C@@H](NC(C)=O)C(O7)[C@H](O)[C@H](O)CO)C(O)=O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
InChIKey
InChIKey=PPLUIGCZJRBXDU-CGPTVLBYSA-N
Formula
C196H330N12O115
Mass
4694.765
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
Galb1-4GlcNAcb1-3Galb1-4Glc- (Neolacto series)
Alternative Parents
Gangliosides Polysaccharides Glycosyl-N-acylsphingosines N-acylneuraminic acids Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides Tetracarboxylic acids and derivatives Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Ketals Pyrans Oxanes 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
Galb1-4glcnacb1-3galb1-4glcb-cer_backbone - Neuaca2-3galb-cer_backbone - Polysaccharide - Glycosyl-n-acylsphingosine - N-acylneuraminic acid or derivatives - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Tetracarboxylic acid or derivatives - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - 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 - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen 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
LIPIDMAPS (LMSP0601GD07) : Gangliosides