Compound Identification
SMILES
CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(=[N+]1CC1=CN=C(C)N=C1N)[C@@](C)(O)C(O)=O
InChIKey
InChIKey=TVDSMGSBVYONNB-OAHLLOKOSA-O
Formula
C15H23N4O10P2S
Mass
513.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Thiamines
- Level 6 Thiamine phosphates
-
Level 5
Thiamines
-
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 Alpha hydroxy acids and derivatives Imidolactams Tertiary alcohols Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - Organic pyrophosphate - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Alpha-hydroxy acid - Organic phosphoric acid derivative - Hydroxy acid - Phosphoric acid ester - Imidolactam - Alkyl phosphate - Heteroaromatic compound - Tertiary alcohol - Azole - Thiazole - Amino acid - Amino acid or derivatives - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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