Compound Identification
SMILES
Cc1nc(\N=N\c2cc(ccc2Cl)S(O)(=O)=O)c(COP(O)(O)=O)c(COP(O)(O)=O)c1O
InChIKey
InChIKey=IANSGZBOXIJPDE-ISLYRVAYSA-N
Formula
C14H16ClN3O12P2S
Mass
547.75
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridoxines
- Level 5 Pyridoxine-5'-phosphates
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Subclass
Pyridoxines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridoxines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxine-5'-phosphates
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Chlorobenzenes Hydroxypyridines Methylpyridines Monoalkyl phosphates Aryl chlorides Heteroaromatic compounds Sulfonyls Organosulfonic acids Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridoxine-5'-phosphate - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Monoalkyl phosphate - Halobenzene - Chlorobenzene - Hydroxypyridine - Methylpyridine - Phosphoric acid ester - Monocyclic benzene moiety - Organic phosphoric acid derivative - Aryl halide - Alkyl phosphate - Aryl chloride - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxine-5'-phosphates. These are pyridoxines that carry a phosphate group at the 5-position.
External Descriptors
Not available