Compound Identification
SMILES
NC(=O)C[C@H](N1CSC(=S)N(C1)C1CCCCC1)C(O)=O
InChIKey
InChIKey=CBDBYAZYHLZPSE-JTQLQIEISA-N
Formula
C13H21N3O3S2
Mass
331.45
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
L-alpha-amino acids Heterocyclic fatty acids Thiadiazinanes Fatty amides Cyclic dithiocarbamic acid esters Primary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Asparagine or derivatives - L-alpha-amino acid - Heterocyclic fatty acid - Fatty amide - Thiadiazinane - Fatty acid - Fatty acyl - Dithiocarbamic acid ester - Cyclic dithiocarbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic 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