Compound Identification
SMILES
[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
InChIKey
InChIKey=HAXVBVDETFUQGV-LNQHITRNSA-L
Formula
C52H86CaO18
Mass
1039.32
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
Branched fatty acids Hydroxy fatty acids Epoxy fatty acids Fatty acid esters Oxanes Dicarboxylic acids and derivatives Monosaccharides Enoate esters Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Dialkyl ethers Organic calcium salts Epoxides Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Medium-chain fatty acid - Branched fatty acid - Epoxy fatty acid - Fatty acid ester - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Organic calcium salt - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic salt - Aliphatic heteromonocyclic 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