Compound Identification
SMILES
NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]4O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]4O)C=C3)=N2)N1
InChIKey
InChIKey=OFCCAICXJLPDDB-YIRCSUOXSA-L
Formula
C23H31N6O12P
Mass
614.506
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
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Level 5
Monosaccharides
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Level 6
Pentoses
- Level 7 Pentose phosphates
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Level 6
Pentoses
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Level 5
Monosaccharides
-
Subclass
Carbohydrates and carbohydrate conjugates
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Monosaccharides - Pentoses
Direct Parent
Pentose phosphates
Alternative Parents
Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Pterins and derivatives O-glycosyl compounds Monosaccharide phosphates Phenylalkylamines Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Secondary alkylarylamines Primary aromatic amines Alkyl phosphates Heteroaromatic compounds Oxolanes Vinylogous amides Ketimines Secondary alcohols Acetals Polyols Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentose phosphate - Pentose-5-phosphate - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Pterin - Glycosyl compound - O-glycosyl compound - Pteridine - Monosaccharide phosphate - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Alkyl phosphate - Benzenoid - Phosphoric acid ester - Organic phosphoric acid derivative - Pyrimidine - Fatty acyl - Monocyclic benzene moiety - Primary aromatic amine - Heteroaromatic compound - Vinylogous amide - Oxolane - Secondary alcohol - Ketimine - Polyol - Secondary amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Imine - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
External Descriptors
Not available