Compound Identification
SMILES
NC(CC1=C(Br)N=C(Br)N1)C(O)=O
InChIKey
InChIKey=QIHGIOCIKNVWRI-UHFFFAOYSA-N
Formula
C6H7Br2N3O2
Mass
312.949
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 Histidine 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
Histidine and derivatives
Alternative Parents
Alpha amino acids 2,4,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Aralkylamines Aryl bromides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organobromides Monoalkylamines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Alpha-amino acid - 2,4,5-trisubstituted-imidazole - Trisubstituted imidazole - Imidazolyl carboxylic acid derivative - Aralkylamine - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available