Compound Identification
SMILES
OC1C(O)C(OC(=O)C2CNC3=C(N2)C(O)=NC(=N)N3)OC(C1O)C(O)=O
InChIKey
InChIKey=YEUJMJJZZZPMFE-UHFFFAOYSA-N
Formula
C13H17N5O9
Mass
387.305
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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 Alpha amino acid esters
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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 - Alpha amino acid esters
Direct Parent
Alpha-amino acyl ester of carbohydrates
Alternative Parents
Pterin carboxylates O-glucuronides Secondary alkylarylamines Hydroxypyrimidines Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Amino acids Polyols Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acyl ester of carbohydrate - Pterin-6-carboxylate - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Pterin - Pteridine - Hydroxypyrimidine - Secondary aliphatic/aromatic amine - Beta-hydroxy acid - Pyrimidine - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Amino acid - Secondary alcohol - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Polyol - Carboxylic acid - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. These are compounds containing an amino acid esterified with a carbohydrate.
External Descriptors
Not available