Compound Identification
SMILES
O[C@H]1[C@@H](O)[C@H](O[C@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC2=C(C=C(C=C2)C#N)C1=O
InChIKey
InChIKey=ITTQCWBIABCPEL-JLNYLFASSA-N
Formula
C15H17N2O14P3
Mass
542.222
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
-
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
-
Class
Organooxygen compounds
-
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
Glycosylamines Isoquinolones and derivatives Monosaccharide phosphates Pyridinones Monoalkyl phosphates Benzenoids Oxolanes Heteroaromatic compounds Lactams 1,2-diols Secondary alcohols Oxacyclic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Isoquinolone - Isoquinoline - Monosaccharide phosphate - Pyridinone - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyridine - Alkyl phosphate - Benzenoid - Oxolane - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Organic nitrogen compound - 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