Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CC1=CN=CN1)N\C=C1/C=CC=C(C1=O)[N+]([O-])=O

InChIKey

InChIKey=ZSKRCVWWJYLOEZ-VMPITWQZSA-N

Formula

C13H12N4O5

Mass

304.262

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Histidine or derivatives - Alpha-amino acid - Imidazolyl carboxylic acid derivative - O-quinomethane - Quinomethane - Aralkylamine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid - Secondary aliphatic amine - Enamine - Allylamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Organic salt - Organic nitrogen 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

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