Compound Identification
SMILES
CSCCC(NC(=O)C1=CC=CC=C1Br)C(O)=O
InChIKey
InChIKey=KQLXHMZMXYSHIG-UHFFFAOYSA-N
Formula
C12H14BrNO3S
Mass
332.21
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 Methionine 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
Methionine and derivatives
Alternative Parents
N-acyl-alpha amino acids Hippuric acids 2-halobenzoic acids and derivatives Benzoyl derivatives Thia fatty acids Bromobenzenes Aryl bromides Vinylogous halides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Methionine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Thia fatty acid - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available