Compound Identification
SMILES
CC[NH+](CC)CC.CC1(C)O[C@@H]2[C@@H]3C[C@H]([C@@H]2O1)[N+]1=C(N)C2=C(N=C1)N([C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC3)[C@H]3OC(C)(C)O[C@@H]13)C(N=[N+]=[N-])=N2
InChIKey
InChIKey=NZVRKADHPCDEQK-UVFAVYCFSA-N
Formula
C28H45N9O12P2
Mass
761.667
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
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
-
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
6-aminopurines Organic pyrophosphates Monosaccharide phosphates Aminopyrimidines and derivatives Ketals Primary aromatic amines Organic phosphoric acids and derivatives N-substituted imidazoles 1,3-dioxolanes Oxolanes Heteroaromatic compounds Trialkylamines Azo compounds Azo imides Oxacyclic compounds Azacyclic compounds Organic zwitterions Organopnictogen compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Not available
Substituents
Pentose phosphate - Pentose-5-phosphate - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Imidazopyrimidine - Purine - Aminopyrimidine - Ketal - N-substituted imidazole - Organic phosphoric acid derivative - Primary aromatic amine - Pyrimidine - Meta-dioxolane - Azole - Imidazole - Heteroaromatic compound - Oxolane - Tertiary amine - Tertiary aliphatic amine - Azo compound - Azo imide - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Organic zwitterion - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Amine - Primary amine - 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