Showing entry for Butanoic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005796
Compound NameButanoic acid
Structure
FormulaC4H8O2
InchiKeyFERIUCNNQQJTOY-UHFFFAOYSA-N
SMILESCCCC(O)=O
InchiInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
IUPACbutanoic acid
Molecular Weight88.11
Pubchem Id264
Chembl IdCHEMBL14227
Targets of Information Source
DrugBank DB03568
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
P06276 BXGT006430 Cholinesterase reviewed - BCHE experimental; investigational -
P96965 BXGT012195 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase unreviewed - cumD experimental; investigational -
Q53464 BXGT014996 (S)-2-haloacid dehalogenase reviewed - - experimental; investigational -
PDB BUA
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
P06276 BXGT006430 Cholinesterase reviewed BCHE - - - - -
Q7SID2 BXGT017116 Cobalt-containing nitrile hydratase subunit alpha reviewed - - - - -
P96965 BXGT012195 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase unreviewed cumD - - - - -
Q53464 BXGT014996 (S)-2-haloacid dehalogenase reviewed - - - - -
P13448 BXGT007909 Nitrile hydratase subunit alpha reviewed nthA - - - - -
P21836 BXGT008694 Acetylcholinesterase reviewed Ache - - - - -
B2CZF3 BXGT001952 Esterase D unreviewed - - - - -
A8BD71 BXGT001668 Uncharacterized protein unreviewed GL50803_14299 - - - - -
Q9GK12 BXGT020403 Peptidoglycan recognition protein 1 reviewed PGLYRP1 - - - - -
Q5SH23 BXGT015668 Alpha-aminoadipate--LysW ligase LysX reviewed lysX - - - - -
Q9LCQ7 BXGT021068 Oxidized polyvinyl alcohol hydrolase reviewed pvaB - - - - -
Q8IDR3 BXGT018256 Myosin-A reviewed PF13_0233 - - - - -
B4EXV8 BXGT002128 Putative phophotriesterase unreviewed PMI1525 - - - - -
A0A0M3KKY6 BXGT000556 Esterase unreviewed - - - - -
A0A0X1KHD1 BXGT000629 Esterase Est2 unreviewed - - - - -
P56459 BXGT011171 Aspartate--tRNA(Asp/Asn) ligase reviewed aspS - - - - -
P02768 BXGT005955 Serum albumin reviewed ALB Transporter - - - -
A0A0U1MWF9 BXGT024692 Triacylglycerol lipase unreviewed lip - - - - -
Q3L887 BXGT024690 Acyl-coA-dehydrogenase unreviewed fadE5 - - - - -
Q9HUP2 BXGT025759 ChoE unreviewed choE - - - - -
Binding DB 26109
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
reviewed BXGT002006 Lysine-specific demethylase 4E reviewed KDM4E - >10000000 - -
reviewed BXGT022418 Methyl-accepting chemotaxis protein NahY reviewed nahY - - 92000 -
reviewed BXGT018912 Solute carrier family 22 member 6 reviewed Slc22a6 3500000 - - -
reviewed BXGT017282 Solute carrier family 22 member 20 reviewed Slc22a20 82000 - - -
reviewed BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 - 16000 - -
reviewed BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 - 12000 - -
reviewed BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 - 9000 - -
reviewed BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 - 15000 - -
reviewed BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 - >2000000 - -
reviewed BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 - >2000000 - -
reviewed BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 - >2000000 - -
reviewed BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 - >2000000 - -
reviewed BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 - >2000000 - -
CHEMBL CHEMBL14227
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
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 IC50 '=' 15000 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 IC50 '=' 12000 nM
Q8VC69 BXGT018912 Solute carrier family 22 member 6 reviewed - Slc22a6 Ki '=' 3467368 nM
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 IC50 '>' 2000000 nM
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 IC50 '>' 2000000 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 0 pm/min/mg
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 0 pm/min/mg
Q80UJ1 BXGT017282 Solute carrier family 22 member 20 reviewed - Slc22a20 Ki '=' 81283 nM
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 IC50 '>' 2000000 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 Ki '=' 136000 nM
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 Ki '=' 136000 nM
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 Ki '=' 136000 nM
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 Ki '=' 136000 nM
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 Ki '=' 136000 nM
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 Ki '=' 136000 nM
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 Ki '=' 136000 nM
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 Ki '=' 136000 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Ki '=' 136000 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 Ki '=' 136000 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Ki '=' 136000 nM
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 IC50 '=' 16000 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 Activity - - -
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 Activity - - -
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 Activity - - -
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 Activity - - -
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 Activity - - -
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 Activity - - -
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 Activity - - -
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 Activity - - -
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Activity - - -
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 Activity - - -
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Activity - - -
Q8VC69 BXGT018912 Solute carrier family 22 member 6 reviewed - Slc22a6 Ki '=' 3500000 nM
O14843 BXGT004107 Free fatty acid receptor 3 reviewed G-protein coupled receptor FFAR3 EC50 '=' 12000 nM
Q7Z4W1 BXGT017257 L-xylulose reductase reviewed - DCXR Protein interaction energy '=' -40 kCal M-1
P53987 BXGT011023 Monocarboxylate transporter 1 reviewed - Slc16a1 Activity - - -
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 IC50 '>' 2000000 nM
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Inhibition - - -
Q80UJ1 BXGT017282 Solute carrier family 22 member 20 reviewed - Slc22a20 Ki '=' 82000 nM
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 IC50 '=' 9000 nM
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 IC50 '>' 2000000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00011 Cashew nut Anacardium occidentale Nuts
BXGF00017 Burdock Arctium lappa Vegetables
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00038 Tea Camellia sinensis Teas
BXGF00040 Pepper (C. annuum) Capsicum annuum Vegetables
BXGF00041 Papaya Carica papaya Fruits
BXGF00057 Sweet orange Citrus sinensis Fruits
BXGF00058 Coffee Coffea Coffee and coffee products
BXGF00065 Cucumber Cucumis sativus Gourds
BXGF00072 Wild carrot Daucus carota Vegetables
BXGF00074 Cardamom Elettaria cardamomum Herbs and Spices
BXGF00081 Fig Ficus carica Fruits
BXGF00086 Sunflower Helianthus annuus Herbs and Spices
BXGF00092 Sweet potato Ipomoea batatas Vegetables
BXGF00097 Sweet bay Laurus nobilis Herbs and Spices
BXGF00100 Lovage Levisticum officinale Herbs and Spices
BXGF00112 Spearmint Mentha spicata Herbs and Spices
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF00119 Sweet basil Ocimum basilicum Herbs and Spices
BXGF00126 Millet Panicum miliaceum Cereals and cereal products
BXGF00129 Parsnip Pastinaca sativa Vegetables
BXGF00130 Avocado Persea americana Vegetables
BXGF00137 Anise Pimpinella anisum Herbs and Spices
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
BXGF00162 Red raspberry Rubus idaeus Fruits
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00177 Sorghum Sorghum bicolor Cereals and cereal products
BXGF00182 Cocoa bean Theobroma cacao Cocoa and cocoa products
BXGF00191 Highbush blueberry Vaccinium corymbosum Fruits
BXGF00193 Bilberry Vaccinium myrtillus Fruits
BXGF00204 Common grape Vitis vinifera Fruits
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF00213 European cranberry Vaccinium oxycoccos Fruits
BXGF00230 Carrot Daucus carota ssp. sativus Vegetables
BXGF00249 Other bread Cereals and cereal products
BXGF00250 Breakfast cereal Cereals and cereal products
BXGF00254 Biscuit Cereals and cereal products
BXGF00296 Carob Ceratonia siliqua Vegetables
BXGF00310 Coconut Cocos nucifera Fruits
BXGF00337 Ginkgo nuts Ginkgo biloba Herbs and Spices
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00380 White mustard Sinapis alba Herbs and Spices
BXGF00393 Pepper (C. frutescens) Capsicum annuum var. annuum Vegetables
BXGF00400 French plantain Musa X paradisiaca Fruits
BXGF00410 Roselle Hibiscus sabdariffa Herbs and Spices
BXGF00413 Pink salmon Oncorhynchus gorbuscha Aquatic foods
BXGF00416 Sockeye salmon Oncorhynchus nerka Aquatic foods
BXGF00491 Shrimp Caridea Aquatic foods
BXGF00494 Domestic pig (Piglet, Pork) Sus scrofa domestica Animal foods
BXGF00502 Feijoa Feijoa sellowiana Fruits
BXGF00549 Oil palm Elaeis Herbs and Spices
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
BXGF00581 Ice cream Confectioneries
BXGF00593 Cake Confectioneries
BXGF00594 Pizza Dishes
BXGF00595 Ymer Milk and milk products
BXGF00596 Other snack food Snack foods
BXGF00598 Pastry Confectioneries
BXGF00602 Salad dressing Baking goods
BXGF00603 Sauce Baking goods
BXGF00605 Butter Milk and milk products
BXGF00606 Butter substitute Baking goods
BXGF00607 Cream Milk and milk products
BXGF00609 Sausage Dishes
BXGF00611 Mustard Baking goods
BXGF00615 Whey Milk and milk products
BXGF00616 Casein Milk and milk products
BXGF00624 Other beverage Beverages
BXGF00625 Baby food Baby foods
BXGF00627 Soup Dishes
BXGF00630 Syrup Baking goods
BXGF00633 Chocolate spread Confectioneries
BXGF00636 Other candy Confectioneries
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
BXGF00652 Zwieback Cereals and cereal products
BXGF00655 Icing Confectioneries
BXGF00656 Snack bar Snack foods
BXGF00659 Burrito Dishes
BXGF00660 Hamburger Dishes
BXGF00662 Chili Dishes
BXGF00663 Taco Dishes
BXGF00664 Tortilla Cereals and cereal products
BXGF00666 Processed cheese Milk and milk products
BXGF00667 Salad Dishes
BXGF00668 Cream substitute Baking goods
BXGF00669 Dulce de leche Confectioneries
BXGF00670 Topping Baking goods
BXGF00671 Sweet custard Confectioneries
BXGF00674 Popcorn Snack foods
BXGF00675 Potato chip Snack foods
BXGF00676 Tortilla chip Snack foods
BXGF00677 Corn chip Snack foods
BXGF00679 Stew Dishes
BXGF00681 Junket Confectioneries
BXGF00684 Other frozen dessert Confectioneries
BXGF00685 Lasagna Dishes
BXGF00687 Pancake Dishes
BXGF00689 Pudding Confectioneries
BXGF00690 Waffle Dishes
BXGF00697 Coffee substitute Baking goods
BXGF00698 Coffee mocha Coffee and coffee products
BXGF00703 Quesadilla Dishes
BXGF00706 Spread Baking goods
BXGF00710 Other sandwich Dishes
BXGF00712 Breakfast sandwich Dishes
BXGF00714 Macaroni and cheese Dishes
BXGF00715 Butterfat Milk and milk products
BXGF00717 Hushpuppy Dishes
BXGF00720 Other fruit product Fruits
BXGF00725 Mixed nuts Nuts
BXGF00734 Pie crust Baking goods
BXGF00736 Pie Confectioneries
BXGF00739 Ice cream cone Baking goods
BXGF00741 Cracker Snack foods
BXGF00745 Ravioli Dishes
BXGF00747 Other pasta dish Dishes
BXGF00749 Tamale Dishes
BXGF00752 Evaporated milk Milk and milk products
BXGF00758 Other bread product Cereals and cereal products
BXGF00759 Piki bread Cereals and cereal products
BXGF00760 French toast Cereals and cereal products
BXGF00761 Wheat bread Cereals and cereal products
BXGF00762 Rye bread Cereals and cereal products
BXGF00763 Oat bread Cereals and cereal products
BXGF00765 Cornbread Cereals and cereal products
BXGF00766 Corn grits Cereals and cereal products
BXGF00774 Fruit-flavor drink Beverages
BXGF00778 Frozen yogurt Confectioneries
BXGF00779 Milkshake Confectioneries
BXGF00780 Chocolate mousse Confectioneries
BXGF00782 Pupusa Dishes
BXGF00784 Arepa Dishes
BXGF00787 Yellow pond-lily Nuphar lutea Herbs and Spices
BXGF00789 Other dish Dishes
BXGF00793 Fudge Confectioneries
BXGF00794 Candy bar Confectioneries
BXGF00795 Condensed milk Milk and milk products
BXGF00796 Margarine Fats and oils
BXGF00797 Margarine-like spread Fats and oils
BXGF00800 Potato gratin Dishes
BXGF00808 Pomes Fruits
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF00815 Milk and milk products Milk and milk products
BXGF00823 Fruits Fruits
BXGF00841 Cow milk, pasteurized, vitamin A + D added, 0% fat Milk and milk products
BXGF00842 Cow milk, pasteurized, vitamin A + D added, 1% fat Milk and milk products
BXGF00843 Cow milk, pasteurized, vitamin A + D added, 2% fat Milk and milk products
BXGF00844 Cow milk, pasteurized, vitamin D added, 3.25% fat Milk and milk products
BXGF00931 Ipomoea digitata Ipomoea digitata Medicinal Plant
BXGF01034 Annona cornifolia Annona cornifolia Human Edible Plant
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01174 Salvia syriaca Salvia syriaca Others
BXGF01204 Solanum laxum Solanum laxum Medicinal Plant
BXGF01456 Eucalyptus melliodora Eucalyptus melliodora Others
BXGF01555 Scutellaria amoena Scutellaria amoena Medicinal Plant
BXGF01614 Goniothalamus malayanus Goniothalamus malayanus Others
BXGF01721 Humulus lupulus Humulus lupulus Medicinal Plant
BXGF01834 Lysimachia mauritiana Lysimachia mauritiana Others
BXGF01883 Swertia franchetiana Swertia franchetiana Medicinal Plant
BXGF01989 Helipterum roseum Helipterum roseum Others
BXGF02030 Angelica decursiva Angelica decursiva Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02050 Hedysarum connatum Hedysarum connatum Others
BXGF02088 Zanthoxylum tetraspermum Zanthoxylum tetraspermum Medicinal Plant
BXGF02125 Artemisia assoana Artemisia assoana Others
BXGF02183 Dumortiera hirsuta Dumortiera hirsuta Medicinal Plant
BXGF02246 Lepisorus ussuriensis Lepisorus ussuriensis Medicinal Plant
BXGF02268 Ginkgo semen Ginkgo semen Others
BXGF02295 Alstonia spathulata Alstonia spathulata Others
BXGF02326 Phoebe pittieri Phoebe pittieri Others
BXGF02361 Hypericum laricifolium Hypericum laricifolium Medicinal Plant
BXGF02410 Adiantum lunulatum Adiantum lunulatum Medicinal Plant
BXGF02460 Peltostigma guatemalense Peltostigma guatemalense Others
BXGF02491 Acacia adunca Acacia adunca Others
BXGF02515 Viguiera incana Viguiera incana Others
BXGF02529 Astragalus sempervirens Astragalus sempervirens Others
BXGF02554 Marrubium anisodon Marrubium anisodon Medicinal Plant
BXGF02593 Wikstroemia retusa Wikstroemia retusa Others
BXGF02606 Naucleopsis ternstroemiiflora Naucleopsis ternstroemiiflora Others
BXGF02792 Ligusticum sinense Ligusticum sinense Medicinal Plant
BXGF03379 Cnidium officinale Cnidium officinale Medicinal Plant
BXGF03947 Rumex maritimus Rumex maritimus Medicinal Plant
BXGF04053 Smilax china Smilax china Medicinal Plant
BXGF04209 Chaenomeles sinensis Chaenomeles sinensis Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba Medicinal Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF05187 Calostephane divaricata Calostephane divaricata Others
BXGF05260 Peucedanum praeruptorum Peucedanum praeruptorum Medicinal Plant
BXGF05358 Codonopsis radix Codonopsis radix Others
BXGF05742 Caragana aurantiaca Caragana aurantiaca Others
BXGF05862 Premna odorata Premna odorata Medicinal Plant
BXGF06037 Cotyledon secunda Cotyledon secunda Others
BXGF06038 Eupatorium lindleyanum Eupatorium lindleyanum Medicinal Plant
BXGF06227 Rauvolfia vomitoria Rauvolfia vomitoria Medicinal Plant
BXGF06237 Gnetum latifolium Gnetum latifolium 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