2-(α-hydroxyethyl)thiamine diphosphate
public_id
FDB030315
IUPAC 名称
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium
描述
2-(α-hydroxyethyl)thiamine diphosphate, also known as 2-(α-hydroxyethyl)-tpp, is a member of the class of compounds known as thiamine phosphates. Thiamine phosphates are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group. 2-(α-hydroxyethyl)thiamine diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-(α-hydroxyethyl)thiamine diphosphate can be found in a number of food items such as amaranth, wild rice, date, and elliott's blueberry, which makes 2-(α-hydroxyethyl)thiamine diphosphate a potential biomarker for the consumption of these food products.
CAS号
异构
CC(O)C1=[N+](CC2=C(N)N=C(C)N=C2)C(C)=C(CCOP([O-])(=O)OP([O-])([O-])=O)S1
InChI标识符
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
RRUVJGASJONMDY-UHFFFAOYSA-L
平均分子量
466.04880595
id
30478
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