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-HNNXBMFYSA-L
Formula
C15H20N4O10P2S
Mass
510.35
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 Alkyl phosphates Imidolactams Tertiary alcohols Heteroaromatic compounds Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Primary amines Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - Organic pyrophosphate - 2,4,5-trisubstituted 1,3-thiazole - Aminopyrimidine - Imidolactam - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Azole - Heteroaromatic compound - Thiazole - Tertiary alcohol - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - 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
Not available