Compound Identification
SMILES
COP(O)(=O)[C@](C)(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1
InChIKey
InChIKey=ILGXNMPRCMTAOK-HNNXBMFYSA-O
Formula
C15H26N4O11P3S
Mass
563.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Thiamines
- Level 6 Thiamine phosphates
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Level 5
Thiamines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Thiamines
Direct Parent
Thiamine phosphates
Alternative Parents
Organic pyrophosphates 2,4,5-trisubstituted thiazoles Monoalkyl phosphates Aminopyrimidines and derivatives Phosphonic acid esters Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organophosphorus compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - Organic pyrophosphate - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Phosphonic acid ester - Alkyl phosphate - Imidolactam - Thiazole - Azole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Aromatic alcohol - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group.
External Descriptors
CHEBI:45929 : aminopyrimidine - 1,3-thiazole - organic phosphonate - alkyl diphosphate