Showing entry for Thiamine hydrochloride


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004353
Compound NameThiamine hydrochloride
Structure
FormulaC12H18Cl2N4OS
InchiKeyDPJRMOMPQZCRJU-UHFFFAOYSA-M
SMILESCl.[Cl-].CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1
InchiInChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
IUPAC3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrochloride chloride
Molecular Weight337.27
Pubchem Id6202
Chembl IdCHEMBL1200941
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1200941
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 AC50 - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 AC50 - - -
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 7754 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 39810 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 AC50 - - -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 AC50 - - -
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 50118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 461 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 7943 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 8912 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 AC50 - - -
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 28183 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00002 Savoy cabbage Brassica oleracea var. sabauda Vegetables
BXGF00004 Kiwi Actinidia chinensis Fruits
BXGF00005 Allium (Onion) Allium Vegetables
BXGF00007 Leek Allium porrum Vegetables
BXGF00008 Garlic Allium sativum Herbs and Spices
BXGF00009 Chives Allium schoenoprasum Herbs and Spices
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00012 Pineapple Ananas comosus Fruits
BXGF00013 Dill Anethum graveolens Herbs and Spices
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00018 Horseradish Armoracia rusticana Herbs and Spices
BXGF00021 Asparagus Asparagus officinalis Vegetables
BXGF00022 Oat Avena sativa Cereals and cereal products
BXGF00023 Star fruit Averrhoa carambola Fruits
BXGF00024 Brazil nut Bertholletia excelsa Nuts
BXGF00028 Swede Brassica napus Vegetables
BXGF00030 Common cabbage Brassica oleracea Vegetables
BXGF00031 Cauliflower Brassica oleracea var. botrytis Vegetables
BXGF00032 Brussel sprouts Brassica oleracea var. gemmifera Vegetables
BXGF00033 Kohlrabi Brassica oleracea var. gongylodes Vegetables
BXGF00034 Broccoli Brassica oleracea var. italica Vegetables
BXGF00035 Chinese cabbage Brassica rapa Vegetables
BXGF00036 Turnip Brassica rapa var. rapa Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00041 Papaya Carica papaya Fruits
BXGF00044 Pecan nut Carya illinoinensis Nuts
BXGF00045 Chestnut Castanea Nuts
BXGF00047 Chickpea Cicer arietinum Pulses
BXGF00048 Endive Cichorium endivia Vegetables
BXGF00049 Chicory Cichorium intybus Vegetables
BXGF00052 Watermelon Citrullus lanatus Gourds
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00058 Coffee Coffea Coffee and coffee products
BXGF00061 Coriander Coriandrum sativum Herbs and Spices
BXGF00064 Muskmelon Cucumis melo Gourds
BXGF00065 Cucumber Cucumis sativus Gourds
BXGF00066 Cucurbita (Gourd) Cucurbita Gourds
BXGF00069 Quince Cydonia oblonga Fruits
BXGF00071 Globe artichoke Cynara scolymus Vegetables
BXGF00076 Loquat Eriobotrya japonica Fruits
BXGF00079 Common buckwheat Fagopyrum esculentum Cereals and cereal products
BXGF00081 Fig Ficus carica Fruits
BXGF00082 Fennel Foeniculum vulgare Herbs and Spices
BXGF00083 Strawberry Fragaria X ananassa Fruits
BXGF00085 Soy bean Glycine max Soy
BXGF00086 Sunflower Helianthus annuus Herbs and Spices
BXGF00088 Barley Hordeum vulgare Cereals and cereal products
BXGF00092 Sweet potato Ipomoea batatas Vegetables
BXGF00095 Lettuce Lactuca sativa Vegetables
BXGF00098 Lentils Lens culinaris Pulses
BXGF00099 Garden cress Lepidium sativum Vegetables
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00103 Lichee Litchi chinensis Fruits
BXGF00105 Apple Malus pumila Fruits
BXGF00106 Mango Mangifera indica Fruits
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF00121 Olive Olea europaea Vegetables
BXGF00125 Rice Oryza sativa Cereals and cereal products
BXGF00126 Millet Panicum miliaceum Cereals and cereal products
BXGF00127 Poppy Papaver Herbs and Spices
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00130 Avocado Persea americana Vegetables
BXGF00131 Parsley Petroselinum crispum Herbs and Spices
BXGF00134 Common bean Phaseolus vulgaris Pulses
BXGF00135 Date Phoenix dactylifera Fruits
BXGF00138 Pine nut Pinus Nuts
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
BXGF00140 Pistachio Pistacia vera Nuts
BXGF00141 Common pea Pisum sativum Pulses
BXGF00143 Prunus (Cherry, Plum) Prunus Fruits
BXGF00144 Apricot Prunus armeniaca Fruits
BXGF00147 European plum Prunus domestica Fruits
BXGF00148 Almond Prunus dulcis Nuts
BXGF00149 Peach Prunus persica Fruits
BXGF00150 Guava Psidium guajava Fruits
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00152 Pear Pyrus communis Fruits
BXGF00153 Radish Raphanus sativus Vegetables
BXGF00154 Garden rhubarb Rheum rhabarbarum Vegetables
BXGF00155 Blackcurrant Ribes nigrum Fruits
BXGF00156 Redcurrant Ribes rubrum Fruits
BXGF00157 Gooseberry Ribes uva-crispa Fruits
BXGF00158 Watercress Rorippa nasturtium-aquaticum Herbs and Spices
BXGF00160 Rubus (Blackberry, Raspberry) Rubus Fruits
BXGF00164 Sorrel Rumex acetosa Herbs and Spices
BXGF00169 Rye Secale cereale Cereals and cereal products
BXGF00170 Sesame Sesamum orientale Herbs and Spices
BXGF00171 Garden tomato Solanum lycopersicum Vegetables
BXGF00174 Eggplant Solanum melongena Vegetables
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00178 Spinach Spinacia oleracea Vegetables
BXGF00180 Tamarind Tamarindus indica Fruits
BXGF00181 Dandelion Taraxacum officinale Herbs and Spices
BXGF00188 Vaccinium (Blueberry, Cranberry, Huckleberry) Vaccinium Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00194 Lingonberry Vaccinium vitis-idaea Fruits
BXGF00200 Mung bean Vigna radiata Pulses
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00206 Ginger Zingiber officinale Herbs and Spices
BXGF00208 Banana Musa acuminata Fruits
BXGF00210 Celeriac Apium graveolens var. rapaceum Vegetables
BXGF00222 Nectarine Prunus persica var. nucipersica Fruits
BXGF00225 Swiss chard Beta vulgaris ssp. cicla Vegetables
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00236 Pak choy Brassica rapa var. chinensis Vegetables
BXGF00239 Grapefruit Citrus X paradisi Fruits
BXGF00243 Daikon radish Raphanus sativus var. longipinnatus Vegetables
BXGF00246 Red beetroot Beta vulgaris var. rubra Vegetables
BXGF00248 Beer Beverages
BXGF00249 Other bread Cereals and cereal products
BXGF00250 Breakfast cereal Cereals and cereal products
BXGF00253 Pasta Cereals and cereal products
BXGF00254 Biscuit Cereals and cereal products
BXGF00264 Alfalfa Medicago sativa Herbs and Spices
BXGF00274 Atlantic wolffish Anarhichas lupus Aquatic foods
BXGF00275 Bamboo shoots Phyllostachys edulis Vegetables
BXGF00288 Burbot Lota lota Aquatic foods
BXGF00298 Cassava Manihot esculenta Vegetables
BXGF00300 Chayote Sechium edule Gourds
BXGF00301 Cherimoya Annona cherimola Fruits
BXGF00302 Chervil Anthriscus cerefolium Herbs and Spices
BXGF00310 Coconut Cocos nucifera Fruits
BXGF00313 Common octopus Octopus vulgaris Aquatic foods
BXGF00317 Malus (Crab apple) Malus Fruits
BXGF00330 Elderberry Sambucus Fruits
BXGF00334 Turbot Scophthalmus maximus Aquatic foods
BXGF00338 Grape Vitis Fruits
BXGF00339 Greenland halibut/turbot Reinhardtius hippoglossoides Aquatic foods
BXGF00340 Groundcherry Physalis Vegetables
BXGF00342 Haddock Melanogrammus aeglefinus Aquatic foods
BXGF00344 Hazelnut Corylus Nuts
BXGF00354 Jerusalem artichoke Helianthus tuberosus Vegetables
BXGF00357 Kale Brassica napus var. pabularia Vegetables
BXGF00360 Kumquat Fortunella Fruits
BXGF00364 Common ling Molva molva Aquatic foods
BXGF00367 Loganberry Rubus loganobaccus Fruits
BXGF00387 Okra Abelmoschus esculentus Vegetables
BXGF00395 Northern pike Esox lucius Aquatic foods
BXGF00400 French plantain Musa X paradisiaca Fruits
BXGF00404 Prickly pear Opuntia Fruits
BXGF00407 Rainbow trout Oncorhynchus mykiss Aquatic foods
BXGF00409 Rose hip Rosa Herbs and Spices
BXGF00454 Salmonidae (Salmon, Trout) Salmonidae Aquatic foods
BXGF00455 Cattle (Beef, Veal) Bos taurus Animal foods
BXGF00462 Whitefish Coregonus Aquatic foods
BXGF00463 Whiting Merlangius merlangus Aquatic foods
BXGF00467 Yam Dioscorea Vegetables
BXGF00472 Pollock Pollachius Aquatic foods
BXGF00474 Gadus (Common cod) Gadus Aquatic foods
BXGF00475 Atlantic halibut Hippoglossus hippoglossus Aquatic foods
BXGF00478 Clupeinae (Herring, Sardine, Sprat) Clupeinae Aquatic foods
BXGF00485 Perciformes (Perch-like fishes) Perciformes Aquatic foods
BXGF00486 Rabbit Leporidae Animal foods
BXGF00491 Shrimp Caridea Aquatic foods
BXGF00492 Crayfish Astacidea Aquatic foods
BXGF00493 Flatfish Pleuronectiformes Aquatic foods
BXGF00494 Domestic pig (Piglet, Pork) Sus scrofa domestica Animal foods
BXGF00505 Common mushroom Agaricus bisporus Vegetables
BXGF00519 Wheat Triticum Cereals and cereal products
BXGF00524 Anchovy Engraulidae Aquatic foods
BXGF00525 Blue whiting Micromesistius poutassou Aquatic foods
BXGF00526 Carp bream Abramis brama Aquatic foods
BXGF00527 Chanterelle Cantharellus cibarius Vegetables
BXGF00528 Sturgeon Acipenseridae Aquatic foods
BXGF00529 Charr Salvelinus Aquatic foods
BXGF00530 Cinnamon Cinnamomum Herbs and Spices
BXGF00531 Crab Brachyura Aquatic foods
BXGF00532 Common dab Limanda limanda Aquatic foods
BXGF00533 Spiny dogfish Squalus acanthias Aquatic foods
BXGF00534 Anatidae (Duck, Goose, Swan) Anatidae Animal foods
BXGF00535 Anguilliformes (Eel) Anguilliformes Aquatic foods
BXGF00536 True frog Ranidae Aquatic foods
BXGF00537 Garfish Belone belone Aquatic foods
BXGF00538 Gadiformes (Cod, Hake) Gadiformes Aquatic foods
BXGF00539 Mountain hare Lepus timidus Animal foods
BXGF00540 Lake trout Salvelinus namaycush Aquatic foods
BXGF00541 Lemon sole Microstomus kitt Aquatic foods
BXGF00542 Clawed lobster Nephropidae Aquatic foods
BXGF00543 Lumpsucker Cyclopteridae Aquatic foods
BXGF00544 Scombridae (Bonito, Mackerel, Tuna) Scombridae Aquatic foods
BXGF00545 Marine mussel Mytilidae Aquatic foods
BXGF00547 Norway lobster Nephrops norvegicus Aquatic foods
BXGF00548 Norway pout Trisopterus esmarkii Aquatic foods
BXGF00550 True oyster Ostreidae Aquatic foods
BXGF00552 Persimmon Diospyros Fruits
BXGF00553 Pikeperch Sander lucioperca Aquatic foods
BXGF00554 Pleuronectidae (Dab, Halibut, Plaice) Pleuronectidae Aquatic foods
BXGF00555 Rock ptarmigan Lagopus muta Animal foods
BXGF00556 Pacific ocean perch Sebastes alutus Aquatic foods
BXGF00557 Black salsify Scorzonera hispanica Vegetables
BXGF00558 True seal Phocidae Aquatic foods
BXGF00560 Kombu Saccharina japonica Aquatic foods
BXGF00562 True sole Soleidae Aquatic foods
BXGF00563 Catfish Siluriformes Aquatic foods
BXGF00565 Thunnus (Common tuna) Thunnus Aquatic foods
BXGF00566 Walnut Juglans Nuts
BXGF00567 Cetacea (Dolphin, Porpoise, Whale) Cetacea Aquatic foods
BXGF00570 Grape wine Beverages
BXGF00573 Liquor Beverages
BXGF00574 Cheese Milk and milk products
BXGF00575 Milk (Cow) Milk and milk products
BXGF00576 Eggs Eggs
BXGF00577 Yogurt Milk and milk products
BXGF00579 Vodka Beverages
BXGF00580 Whisky Beverages
BXGF00581 Ice cream Confectioneries
BXGF00584 Liquorice Confectioneries
BXGF00586 Rum Beverages
BXGF00594 Pizza Dishes
BXGF00595 Ymer Milk and milk products
BXGF00596 Other snack food Snack foods
BXGF00597 Crisp bread Cereals and cereal products
BXGF00598 Pastry Confectioneries
BXGF00601 Marzipan Confectioneries
BXGF00602 Salad dressing Baking goods
BXGF00603 Sauce Baking goods
BXGF00605 Butter Milk and milk products
BXGF00607 Cream Milk and milk products
BXGF00609 Sausage Dishes
BXGF00611 Mustard Baking goods
BXGF00612 Pate Dishes
BXGF00614 Meat bouillon Baking goods
BXGF00615 Whey Milk and milk products
BXGF00618 Leavening agent Baking goods
BXGF00623 Milk (Human) Milk and milk products
BXGF00625 Baby food Baby foods
BXGF00627 Soup Dishes
BXGF00632 Remoulade Baking goods
BXGF00633 Chocolate spread Confectioneries
BXGF00635 Curry powder Herbs and Spices
BXGF00639 Other animal fat Fats and oils
BXGF00641 Cocoa powder Cocoa and cocoa products
BXGF00642 Chocolate Cocoa and cocoa products
BXGF00643 Hot chocolate Cocoa and cocoa products
BXGF00644 Dried milk Milk and milk products
BXGF00645 Milk (Other mammals) Milk and milk products
BXGF00646 Kefir Milk and milk products
BXGF00647 Buttermilk Milk and milk products
BXGF00648 Other fermented milk Milk and milk products
BXGF00649 Soy sauce Soy
BXGF00650 Miso Soy
BXGF00651 Tofu Soy
BXGF00691 Soy milk Soy
BXGF00700 Semolina Cereals and cereal products
BXGF00711 Ketchup Baking goods
BXGF00718 Fruit juice Beverages
BXGF00720 Other fruit product Fruits
BXGF00741 Cracker Snack foods
BXGF00758 Other bread product Cereals and cereal products
BXGF00761 Wheat bread Cereals and cereal products
BXGF00762 Rye bread Cereals and cereal products
BXGF00775 Vegetable juice Beverages
BXGF00789 Other dish Dishes
BXGF00796 Margarine Fats and oils
BXGF00797 Margarine-like spread Fats and oils
BXGF00826 Sunburst squash (pattypan squash) Cucurbita pepo var. clypeata Gourds
BXGF00827 Green zucchini Cucurbita pepo var. cylindrica Gourds
BXGF00828 Yellow zucchini Cucurbita pepo var. cylindrica Gourds
BXGF00829 Green bell pepper Capsicum annuum Vegetables
BXGF00830 Yellow bell pepper Capsicum annuum Vegetables
BXGF00832 Red bell pepper Capsicum annuum Vegetables
BXGF00833 Italian sweet red pepper Capsicum annuum Vegetables
BXGF00835 Green bean Phaseolus vulgaris Pulses
BXGF00838 Japanese pumpkin Cucurbita maxima Gourds
BXGF00839 White cabbage Brassica oleracea L. var. capitata L. f. alba DC. Vegetables
BXGF00840 Romaine lettuce Lactuca sativa L. var. longifolia Vegetables
BXGF01580 Changium smyrnioides Changium smyrnioides Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease