Record Information Version
1.0 Update Date
1/22/2018 11:54:54 AM
Metabolite ID PAMDB110211
Identification Name:
2-(α-hydroxyethyl)thiamine diphosphate Description: Not Available
Structure
Synonyms:
2-(α-hydroxyethyl)-TPP
2-(α-hydroxyethyl)-ThPP
Chemical Formula:
C14 H20 N4 O8 P2 S
Average Molecular Weight:
469.0711824459 Monoisotopic Molecular
Weight:
469.0711824459 InChI Key:
RRUVJGASJONMDY-UHFFFAOYSA-L InChI:
InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p-2 CAS
number:
Not Available IUPAC Name: Not Available
Traditional IUPAC Name:
Not Available SMILES: CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])
Chemical Taxonomy
Taxonomy 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.
Kingdom
Organic compounds Super Class Organoheterocyclic compounds
Class
Diazines Sub Class Pyrimidines and pyrimidine derivatives
Direct Parent
Thiamine phosphates Alternative Parents
Not Available Substituents
Thiamine-phosphate Organic pyrophosphate 2,4,5-trisubstituted 1,3-thiazole Aminopyrimidine Organic phosphoric acid derivative Phosphoric acid ester Alkyl phosphate Imidolactam Heteroaromatic compound Azole Thiazole Secondary alcohol Azacycle Hydrocarbon derivative Amine Organic oxide Primary amine Alcohol Organooxygen compound Organonitrogen compound Organopnictogen compound Organic nitrogen compound Aromatic alcohol Organic oxygen compound Organic anion Aromatic heteromonocyclic compound Molecular Framework
Aromatic heteromonocyclic compounds External Descriptors
organophosphate oxoanion (CHEBI:58939) a small molecule (2-ALPHA-HYDROXYETHYL-THPP)
Physical Properties State:
Not Available Charge: Not Available
Melting point:
Not Available Experimental Properties:
Not Available Predicted Properties
Biological Properties Cellular Locations:
Not Available Reactions:
Pathways:
Spectra Spectra:
Not Available
References References:
Not Available Synthesis Reference:
Not Available Material Safety Data Sheet (MSDS)
Not Available
Links External Links:
This project is supported by
the University of Maryland ,
School of Pharmacy ,
Mass Spectrometry Center , a Waters Center of Excellence. The center is an NIH-investigator funded research and core facility that supports a wide range of cutting-edge metabolomic studies. The Center is supported through a center grant from the University of Maryland and NIH grants to its members. The PAMDB project is affiliated with
The Metabolomics Innovation Centre (TMIC) a leading metabolomics research and service center funded through Genome Alberta, Genome British Columbia and Genome Canada.
