Compound Identification
SMILES
C[C@@H](SP(O)(=O)O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=GPGJXNYNJPMDTP-MOWZACQSSA-N
Formula
C14H22NO16P3S
Mass
585.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
-
Level 5
Cyclic alcohols and derivatives
-
Level 6
Cyclitols and derivatives
- Level 7 Inositol phosphates
-
Level 6
Cyclitols and derivatives
-
Level 5
Cyclic alcohols and derivatives
-
Subclass
Alcohols and polyols
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Cyclic alcohols and derivatives - Cyclitols and derivatives
Direct Parent
Inositol phosphates
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Monoalkyl phosphates Cyclohexanols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Polyols Organothiophosphorus compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Inositol phosphate - Nitrobenzene - Nitroaromatic compound - Cyclohexanol - Monoalkyl phosphate - Monocyclic benzene moiety - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Alkyl phosphate - C-nitro compound - Organic nitro compound - Secondary alcohol - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organothiophosphorus compound - Allyl-type 1,3-dipolar organic compound - Polyol - Sulfenyl compound - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as inositol phosphates. These are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.
External Descriptors
Not available