Compound Identification
SMILES
NC1NC(=O)C2N=CN(COCCOC(=O)CCCO[N+]([O-])=O)C2=C1
InChIKey
InChIKey=MKFIHBCCYUXDRE-UHFFFAOYSA-N
Formula
C13H19N5O7
Mass
357.323
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Imidazopyridines Fatty acid esters Alkyl nitrates Imidazolines Secondary carboxylic acid amides Carboxylic acid esters Lactams Organic nitric acids and derivatives Organic nitro compounds Formamidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Carboxamidines Organic salts Organic zwitterions Hydrocarbon derivatives Amines Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Imidazopyridine - Fatty acid ester - Fatty acyl - Alkyl nitrate - 2-imidazoline - Organic nitrate - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - Organic nitric acid or derivatives - Secondary carboxylic acid amide - Amidine - Carboxylic acid amidine - Azacycle - Formamidine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic zwitterion - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available