Compound Identification
SMILES
OP(O)([O-])=O.CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N
InChIKey
InChIKey=CUWOKLAYADTBBR-UHFFFAOYSA-N
Formula
C12H20N4O8P2S
Mass
442.32
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
Monoalkyl phosphates Aminopyrimidines and derivatives 4,5-disubstituted thiazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiamine-phosphate - 4,5-disubstituted 1,3-thiazole - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Imidolactam - Thiazole - Azole - Heteroaromatic compound - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - 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