Compound Identification
SMILES
[Cl-].CC(O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1
InChIKey
InChIKey=NOXQCKAOUMGQCX-UHFFFAOYSA-N
Formula
C14H23ClN4O8P2S
Mass
504.82
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
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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 Imidolactams Heteroaromatic compounds Secondary alcohols Azacyclic compounds Primary amines Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
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 - Alkyl phosphate - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Azacycle - Aromatic alcohol - Amine - Primary amine - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic chloride salt - Organic salt - Organic zwitterion - 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