Compound Identification
SMILES
[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O.CC(C)(CO)[C@@H](O)C(=O)NCCC([O-])=O
InChIKey
InChIKey=FAPWYRCQGJNNSJ-UBKPKTQASA-L
Formula
C18H32CaN2O10
Mass
476.536
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
N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid - Organic calcium salt - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Organic salt - Organic zwitterion - 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