Compound Identification
SMILES
NC(CCCNC(=O)CC(NC(=O)CP(O)(O)=O)C(O)=O)(C(F)F)C(O)=O
InChIKey
InChIKey=NSGUBJIMUFRLFP-UHFFFAOYSA-N
Formula
C12H20F2N3O9P
Mass
419.275
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
Alpha amino acids and derivatives
- Level 7 Asparagine and derivatives
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Asparagine and derivatives
Alternative Parents
N-acyl-alpha amino acids Alpha amino acids Dicarboxylic acids and derivatives N-acyl amines Fatty acids and conjugates Organic phosphonic acids Secondary carboxylic acid amides Amino acids Carboxylic acids Monoalkylamines Organic oxides Alkyl fluorides Carbonyl compounds Organofluorides Organophosphorus compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Asparagine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Fatty acid - Organophosphonic acid - Organophosphonic acid derivative - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Organooxygen compound - Primary amine - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organophosphorus compound - Carbonyl group - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available