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]3OC(CO)[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](CO)O[C@@]5(CC(O)[C@@H](NC(C)=O)C(O5)[C@H](O)[C@H](O)CO)C(O)=O)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](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)C(O)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC
InChIKey
InChIKey=ZXSJZXZAQRKMMP-FAUWHPLLSA-N
Formula
C125H213N7O63
Mass
2822.065
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 Polysaccharides Glycosyl-N-acylsphingosines N-acylneuraminic acids Neuraminic acids Pentacarboxylic acids and derivatives N-acyl-alpha-hexosamines C-glucuronides 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 - Polysaccharide - Glycosyl-n-acylsphingosine - N-acylneuraminic acid - N-acylneuraminic acid or derivatives - Neuraminic acid - Pentacarboxylic acid or derivatives - Fatty acyl glycoside - N-acyl-alpha-hexosamine - C-glucuronide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - C-glycosyl compound - Ketal - Fatty acyl - Fatty amide - N-acyl-amine - Pyran - Oxane - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Oxacycle - Polyol - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Primary alcohol - Organic oxide - 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 (LMSP0601AX08) : Gangliosides