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-OAHLLOKOSA-L
Formula
C15H23N4O11P3S
Mass
560.35
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
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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 Aminopyrimidines and derivatives Phosphonic acid esters Alkyl phosphates Imidolactams Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Aromatic alcohols Organic salts Organophosphorus compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - Organic pyrophosphate - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Phosphonic acid ester - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Thiazole - Azole - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Aromatic alcohol - Hydrocarbon derivative - Amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organic salt - 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
Not available