Compound Identification
SMILES
[Cl-].OC(=O)CCCCC1CCSS1.CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=HSJGEKWSSDIAMK-UHFFFAOYSA-M
Formula
C20H31ClN4O3S3
Mass
507.12
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- 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
Not available
Direct Parent
Thiamines
Alternative Parents
Lipoic acids and derivatives Medium-chain fatty acids Thia fatty acids 4,5-disubstituted thiazoles Aminopyrimidines and derivatives Heterocyclic fatty acids Imidolactams 1,2-dithiolanes Heteroaromatic compounds Organic disulfides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic chloride salts Primary amines Carbonyl compounds Organic oxides Primary alcohols Organic cations
Molecular Framework
Not available
Substituents
Thiamine - Lipoic_acid_derivative - Medium-chain fatty acid - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Imidolactam - Azole - Dithiolane - Heteroaromatic compound - 1,2-dithiolane - Thiazole - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Primary alcohol - Primary amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiamines. These are compounds containing a thiamine moiety, which is structurally characterized by a 3-[(4-Amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-5-yl backbone.
External Descriptors
Not available