Vitamin B1/Thiamine metabolism

Source	ID	Pathway
PathWhiz	PW002486

Pathway Metabolites

YMDB ID	Name CAS Number	IUPAC Name	Formula Weight
YMDB00097	Adenosine monophosphate 61-19-8	{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid	C₁₀H₁₄N₅O₇P 347.2212
YMDB00109	Adenosine triphosphate 56-65-5	({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid	C₁₀H₁₆N₅O₁₃P₃ 507.181
YMDB00117	4-amino-2-methyl-5-diphosphomethylpyrimidine	({hydroxy[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methoxy]phosphoryl}oxy)phosphonic acid	C₆H₁₁N₃O₇P₂ 299.115
YMDB00118	4-amino-5-hydroxymethyl-2-methylpyrimidine 73-67-6	(4-amino-2-methylpyrimidin-5-yl)methanol	C₆H₉N₃O 139.1552
YMDB00128	4-amino-2-methyl-5-phosphomethylpyrimidine	[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methoxy]phosphonic acid	C₆H₁₀N₃O₄P 219.1351
YMDB00164	Thiamine monophosphate 495-23-8	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(hydrogen phosphonooxy)ethyl]-4-methyl-1,3-thiazol-3-ium	C₁₂H₁₇N₄O₄PS 344.327
YMDB00219	Pyrophosphate 14000-31-8	(phosphonooxy)phosphonic acid	H₄O₇P₂ 177.9751
YMDB00220	Thiamine 59-43-8	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium	C₁₂H₁₇N₄OS 265.355
YMDB00319	4-Methyl-5-(2-phosphonooxyethyl)thiazole	[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phosphonic acid	C₆H₁₀NO₄PS 223.187
YMDB00381	Thiamine pyrophosphate 154-87-0	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	C₁₂H₁₉N₄O₇P₂S 425.314
YMDB00706	5-(2-Hydroxyethyl)-4-methylthiazole 137-00-8	2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol	C₆H₉NOS 143.207
YMDB00862	hydron 12408-02-5	hydron	H 1.00794
YMDB00890	water 7732-18-5	water	H₂O 18.0153
YMDB00907	phosphate 14265-44-2	phosphoric acid	O₄P 94.9714
YMDB00914	ADP 58-64-0	[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid	C₁₀H₁₅N₅O₁₀P₂ 427.2011
YMDB01093	thiamine(1+) diphosphate(1-)	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium	C₁₂H₁₈N₄O₇P₂S 424.306
YMDB16323	pyrithiamine	2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-1,2-dihydropyridin-3-yl}ethan-1-ol	C₁₄H₂₀N₄O 260.341
YMDB16324	2-(2-methylpyridin-3-yl)ethanol	2-(2-methylpyridin-3-yl)ethan-1-ol	C₈H₁₁NO 137.182
YMDB16325	oxythiamine	2-(4-methyl-1,3-thiazol-5-yl)ethyl phosphate
YMDB16326	5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone	5-(hydroxymethyl)-2-methyl-3,4-dihydropyrimidin-4-one	C₆H₈N₂O₂ 140.142

Pathway Proteins

Uniprot ID	Gene Name Locus	Name	Type	Metabolites
P35842	PHO11 YAR071W	Acid phosphatase PHO11	Enzyme	Flavin Mononucleotide Thiamine monophosphate Thiamine Riboflavin water phosphate
P00635	PHO5 YBR093C	Repressible acid phosphatase	Enzyme	Flavin Mononucleotide Thiamine monophosphate Thiamine Riboflavin water phosphate
P35202	THI80 YOR143C	Thiamine pyrophosphokinase	Enzyme	Adenosine monophosphate Adenosine triphosphate Thiamine Thiamine pyrophosphate Thiamine triphosphate hydron ADP
Q08975	THI21 YPL258C	Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21	Enzyme	Adenosine triphosphate 4-amino-2-methyl-5-diphosphomethylpyrimidine 4-amino-5-hydroxymethyl-2-methylpyrimidine 4-amino-2-methyl-5-phosphomethylpyrimidine Toxopyrimidine hydron ADP
Q08224	THI20 YOL055C	Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI20	Enzyme	Adenosine triphosphate 4-amino-2-methyl-5-diphosphomethylpyrimidine 4-amino-5-hydroxymethyl-2-methylpyrimidine 4-amino-2-methyl-5-phosphomethylpyrimidine Thiamine 5-(2-Hydroxyethyl)-4-methylthiazole Toxopyrimidine hydron water ADP pyrithiamine 2-(2-methylpyridin-3-yl)ethanol 5-(hydroxymethyl)-2-methyl-4(1H)-pyrimidinone
P41835	THI6 YPL214C	Thiamine biosynthetic bifunctional enzyme	Enzyme	Adenosine triphosphate 4-amino-2-methyl-5-diphosphomethylpyrimidine Thiamine monophosphate Pyrophosphate 4-Methyl-5-(2-phosphonooxyethyl)thiazole 5-(2-Hydroxyethyl)-4-methylthiazole Thiamine(1+) monophosphate hydron ADP
P24031	PHO3 YBR092C	Constitutive acid phosphatase	Enzyme	Thiamine monophosphate Thiamine Thiamine pyrophosphate Thiamine(1+) monophosphate hydron water phosphate
P38693	PHO12 YHR215W	Acid phosphatase PHO12	Enzyme	Thiamine monophosphate Thiamine water phosphate