Compound Identification
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CN(N=O)[C@@H](CC1=CN=CN1)C(O)=O
InChIKey
InChIKey=UPTXNWARCVQXTI-AYHFEMFVSA-N
Formula
C12H18N4O8
Mass
346.296
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
Imidazolyl carboxylic acids and derivatives Acyloins Beta-hydroxy ketones Monosaccharides Alpha-hydroxy ketones Heteroaromatic compounds Secondary alcohols Organic N-nitroso compounds Polyols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Imidazolyl carboxylic acid derivative - Monosaccharide - Acyloin - Beta-hydroxy ketone - Imidazole - Heteroaromatic compound - Alpha-hydroxy ketone - Azole - Secondary alcohol - Organic n-nitroso compound - Ketone - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Carboxylic acid - Organic nitroso compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - 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