Compound Identification
SMILES
OC(=O)[C@H](CC1=CN(C=N1)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=WOZYZMUUGRWSLF-AWEZNQCLSA-N
Formula
C18H13N7O10
Mass
487.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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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
Dinitroanilines Phenylimidazoles L-alpha-amino acids Nitrobenzenes Phenylalkylamines Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Secondary alkylarylamines N-substituted imidazoles Heteroaromatic compounds Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic salts Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Dinitroaniline - 1-phenylimidazole - Alpha-amino acid - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Imidazolyl carboxylic acid derivative - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Amino acid - C-nitro compound - Organic nitro compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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