Compound Identification
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@@]4(CC(O)[C@@H](NC(C)=O)C(O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@]5(CC(O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)C4O)C3NC(C)=O)[C@H](O[C@@]3(CC(O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@@H](CO)O[C@@]3(CC(O)[C@@H](NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C2O)[C@H](O)C1O)[C@H](O)\C=C\CCCCCCCCCCCCC
InChIKey
InChIKey=QIYLUYKQIXBVAB-VKXTVELHSA-N
Formula
C112H194N6O55
Mass
2504.771
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 Neutral glycosphingolipids
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Subclass
Glycosphingolipids
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Class
Sphingolipids
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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
GalNAcb1-4Galb1-4Glc- (Ganglio series)
Alternative Parents
Gangliosides Glycosyl-N-acylsphingosines Oligosaccharides N-acylneuraminic acids Neuraminic acids N-acyl-alpha-hexosamines C-glucuronides Tetracarboxylic acids and derivatives Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Ketals Oxanes Pyrans 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
Galnacb1-4galb1-4glcb-cer_backbone - Neuaca2-3galb1-4glcb-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 - 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 - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Primary alcohol - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as galnacb1-4galb1-4glc- (ganglio series). These are neutral glycosphingolipids in which the root sequence is GalNAcb1-4Galb1-4Glc.
External Descriptors
LIPIDMAPS (LMSP0601BJ05) : Gangliosides