Compound Identification
SMILES
NC1=NC=NC2=C1N=C(SCC(=O)C(=O)CBr)[C@@H]2C1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChIKey
InChIKey=MBHGQJDMVLQMHO-QDLLXIDESA-N
Formula
C15H19BrN4O12P2S
Mass
621.24
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
-
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
Organic pyrophosphates Pyrrolopyrimidines Pyrimidines and pyrimidine derivatives Imidothiolactones Imidolactams Alpha-diketones Alkyl phosphates Tetrahydrofurans Pyrroles Heteroaromatic compounds Alpha-haloketones Secondary alcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Imidothioic acids and derivatives Dialkyl ethers Carboximidamides Azacyclic compounds Amidines Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentose-5-phosphate - Pentose phosphate - Organic pyrophosphate - Pyrrolopyrimidine - Imidolactam - Imidothiolactone - Alkyl phosphate - Pyrimidine - Phosphoric acid ester - Organic phosphoric acid derivative - Alpha-diketone - Alpha-haloketone - Heteroaromatic compound - Tetrahydrofuran - Pyrrole - Secondary alcohol - Ketone - Imidothioester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Imidothioic acid or derivatives - Ether - Dialkyl ether - Amidine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Alcohol - 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