Compound Identification
SMILES
CCCCCCCCCCOC1=C(NCCCCCO[C@@]2(C[C@H](O)[C@@H](NC(=O)C(C)C)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)C(=O)C1=O
InChIKey
InChIKey=RCDINRFZASODTE-GVQKBVNXSA-N
Formula
C32H54N2O12
Mass
658.786
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Sugar amino acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 9
N-acylneuraminic acids and derivatives
- Level 10 N-acylneuraminic acids
-
Level 9
N-acylneuraminic acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 6
Sugar amino acids and derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives - N-acylneuraminic acids and derivatives
Direct Parent
N-acylneuraminic acids
Alternative Parents
Neuraminic acids C-glucuronides C-glycosyl compounds Alkyl aryl ethers Secondary alkylarylamines Ketals Pyrans Oxanes Vinylogous esters Vinylogous amides Secondary carboxylic acid amides Amino acids Secondary alcohols Cyclic ketones Polyols Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - C-glycosyl compound - Glycosyl compound - Alkyl aryl ether - Ketal - Secondary aliphatic/aromatic amine - Oxane - Pyran - Vinylogous ester - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary alcohol - Cyclic ketone - Secondary carboxylic acid amide - Polyol - Oxacycle - Secondary amine - Acetal - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Primary alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.
External Descriptors
Not available