Compound Identification
SMILES
[Ca++].CC(C)(CO)[C@@H](OS([O-])(=O)=O)C(=O)NCCC([O-])=O
InChIKey
InChIKey=OYXORJPBGUZASC-FJXQXJEOSA-L
Formula
C9H15CaNO8S
Mass
337.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Sulfuric acid monoesters N-acyl amines Monosaccharides Alkyl sulfates Secondary carboxylic acid amides Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic acyclic compounds
Substituents
Beta amino acid or derivatives - Fatty acyl - Fatty amide - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Monosaccharide - N-acyl-amine - Organic sulfuric acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available