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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
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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 O-quinomethanes Imidazolyl carboxylic acids and derivatives Aralkylamines Vinylogous amides Heteroaromatic compounds C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Allylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
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