Compound Identification
SMILES
COC1=C(Br)C=C(CSC[C@H](N)C(O)=O)C=C1
InChIKey
InChIKey=KGEKDCDAFPQHOC-VIFPVBQESA-N
Formula
C11H14BrNO3S
Mass
320.2
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
Cysteine and derivatives
- Level 8 L-cysteine-S-conjugates
-
Level 7
Cysteine and derivatives
-
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 - Cysteine and derivatives
Direct Parent
L-cysteine-S-conjugates
Alternative Parents
L-alpha-amino acids Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Amino acids Dialkylthioethers Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Monoalkylamines Organobromides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
L-cysteine-s-conjugate - Alpha-amino acid - L-alpha-amino acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Ether - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Carboxylic acid - Dialkylthioether - Organic nitrogen compound - Organohalogen compound - Primary aliphatic amine - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
External Descriptors
Not available