Compound Identification
SMILES
CO[C@H]1CC[C@H](O[C@H]2C[C@H](O[C@]3(O[C@@H](C[C@@H]3C)[C@@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)[C@@H]2C)[C@@]2(C)CC[C@@]3(C[C@@H](O)[C@@H](C)[C@@H](O3)[C@@H](C)\C=C\C(=O)[C@H](C)C[C@@H](C)C(O)=O)O2)O[C@H]1C
InChIKey
InChIKey=ITCYVPPWNZCZHG-HRIUPBMDSA-N
Formula
C46H76O14
Mass
853.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain fatty acids
Alternative Parents
Methyl-branched fatty acids Ketals Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Oxanes Tetrahydrofurans Enones Acryloyl compounds Secondary alcohols Ketones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Medium-chain fatty acid - Ketal - Methyl-branched fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Unsaturated fatty acid - Oxane - Alpha,beta-unsaturated ketone - Tetrahydrofuran - Enone - Acryloyl-group - Secondary alcohol - Ketone - Hemiacetal - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available