Compound Identification
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
InChIKey
InChIKey=MNSHWIVXIWIXKK-VCAVCTGASA-N
Formula
C47H82O4
Mass
711.169
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Quinone and hydroquinone lipids
-
Level 5
Vitamin E compounds
- Level 6 Tocopherols
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Level 5
Vitamin E compounds
-
Subclass
Quinone and hydroquinone lipids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Quinone and hydroquinone lipids
Intermediate Tree Nodes
Vitamin E compounds
Direct Parent
Tocopherols
Alternative Parents
Lineolic acids and derivatives Diterpenoids Long-chain fatty acids 1-benzopyrans Phenols Alkyl aryl ethers Unsaturated fatty acids Straight chain fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tocopherol - Diterpenoid - Octadecanoid - Long-chain fatty acid - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Phenol - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.
External Descriptors
Not available