General Information of DIG (ID: E09EXY)
DIG Name
Acetic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
acetic acid; ethanoic acid; 64-19-7; Ethylic acid; Acetic acid, glacial; Glacial acetic acid; Methanecarboxylic acid; Acetic acid glacial; Vinegar acid; Acetasol; Essigsaeure; Acide acetique; Aci-jel; Azijnzuur; Vinegar; Acido acetico; Kyselina octova; Octowy kwas; Pyroligneous acid; HOAc; Azijnzuur [Dutch]; Ethanoic acid monomer; acetyl alcohol; Essigsaeure [German]; ethoic acid; Caswell No. 003; Otic Tridesilon; Octowy kwas [Polish]; Otic Domeboro; Acetic acid (natural); Acide acetique [French]; Acido acetico [Italian]; Kyselina octova [Czech]; AcOH; Carboxylic acids, C2-3; Acetic acid, water solutions; FEMA No. 2006; acetic acid-; ethanoate; UN2789; UN2790; MeCOOH; EPA Pesticide Chemical Code 044001; NSC 132953; UNII-Q40Q9N063P; BRN 0506007; AI3-02394; methane carboxylic acid; CH3COOH; CH3-COOH; CH3CO2H; MFCD00036152; 10.Methanecarboxylic acid; CHEMBL539; 68475-71-8; CHEBI:15366; Q40Q9N063P; Ethanoat; Shotgun; Acetic acid, diluted; Acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid; Acetic acid [JAN]; NSC-132953; NSC-406306; C2:0; Perchloric acid solution; Orlex; Vosol; E 260; E-260; ACETIC-13C2 ACID; WLN: QV1; Acetic acid solution, not less than 50% but more than 80% acid, by mass [UN2790] [Corrosive]; Acetic acid solution, with more than 10% and less than 50% acid, by mass [UN2790] [Corrosive]; Acetic acid, glacial or acetic acid solution, >80% acid, by mass [UN2789] [Corrosive]; Acetic acid, >=99.7%; Acetic acid, aqueous solution; Acetic acid, 99.5%, pure; Acetic acid, 99+%, extra pure; Aceticum acidum; FEMA Number 2006; Acetic acid, 99.6%, for analysis; Acetic acid, 99.8%, for analysis; Acetic acid, 25%, solution in water; Acetic acid, 50%, solution in water; Acetic acid, 99.8%, for biochemistry; Acetic acid, ACS reagent, >=99.7%; ACY; HSDB 40; Acetic acid, 80% vol., solution in water; CCRIS 5952; NSC-111201; NSC-112209; NSC-115870; NSC-127175; EINECS 200-580-7; Acetic acid 0.25% in plastic container; Ethylate; acetic aicd; acetic-acid; Glacial acetate; acetic cid; actic acid; acetic -acid; Methanecarboxylate; Acetic acid, glacial [USP:JAN]; Nat. Acetic Acid; Acetasol (TN); Acetic Acid Natural; Vinegar (Salt/Mix); Acetic acid, propionic acid distillate; MeCO2H; Undiluted Acetic Acid; Oxytocin identification; 3,3'-(1,4-phenylene)dipropiolic acid; HOOCCH3; PubChem22173; Acetic Acid (Recovered); Acetic acid LC/MS Grade; Acetic acid, ACS reagent; DSSTox_CID_4394; Acetic Acid Solution, 1N; bmse000191; bmse000817; bmse000857; Otic Domeboro (Salt/Mix); EC 200-580-7; Acetic acid (JP17/NF); ACMC-1B1E4; DSSTox_RID_77386; NCIOpen2_000659; NCIOpen2_000682; DSSTox_GSID_24394; Acetic acid, glacial (USP); Buffer Solution, pH 4.64; 4-02-00-00094 (Beilstein Handbook Reference); Glacial acetic acid (JP17); UN 2790 (Salt/Mix); INS No. 260; GTPL1058; INS NO.260; Acetic Acid Glacial HPLC Grade; Acetic acid solution, for HPLC; Acetic acid, analytical standard; Acetic acid, Glacial USP grade; DTXSID5024394; [C]C(O)=O; Acetic acid, puriss., >=80%; INS-260; Acetic acid, 99.8%, anhydrous; Acetic acid, AR, >=99.8%; Acetic acid, LR, >=99.5%; Acetic Acid, Glacial Reagent ACS; DTXSID901022438; Acetic acid solution, 1 N, 1 M; Acetic acid, extra pure, 99.8%; Acetic acid, 99.5-100.0%; Acetic acid, Glacial, ACS Reagent; STR00276; ZINC5224164; Acetic acid, puriss., 99-100%; Tox21_301453; Acetic acid, glacial, >=99.85%; ANW-41557; ANW-44008; BDBM50074329; LMFA01010002; NSC132953; NSC406306; STL264240; TCLP extraction fluid 2 (Salt/Mix); Acetic acid, 1% v/v aqueous solution; Acetic acid, 4% v/v aqueous solution; Acetic acid, 99.7+%, ACS reagent; Acetic acid, Environmental Grade Plus; Acetic acid, for HPLC, >=99.8%; AKOS000268789; Buffer Solution (Acetate), pH 4.01; DB03166; MCULE-8295936189; UN 2789; Acetic acid, >=99.5%, FCC, FG; Acetic acid, natural, >=99.5%, FG; Acetic acid, ReagentPlus(R), >=99%; CAS-64-19-7; Acetic acid, USP, 99.5-100.5%; NCGC00255303-01; 4843-45-2; Acetic acid, 0.1N Standardized Solution; Acetic acid, 1.0N Standardized Solution; Acetic acid, SAJ first grade, >=99.0%; Buffer Solution (Acetate), pH 4.0-4.6; DB-085748; 612-EP0930075A1; 612-EP1441224A2; 612-EP2269610A2; 612-EP2269977A2; 612-EP2269978A2; 612-EP2269985A2; 612-EP2269986A1; 612-EP2269988A2; 612-EP2269989A1; 612-EP2269990A1; 612-EP2269991A2; 612-EP2269992A1; 612-EP2269993A1; 612-EP2269994A1; 612-EP2269998A2; 612-EP2270001A1; 612-EP2270002A1; 612-EP2270006A1; 612-EP2270008A1; 612-EP2270010A1; 612-EP2270011A1; 612-EP2270012A1; 612-EP2270013A1; 612-EP2270014A1; 612-EP2270015A1; 612-EP2270016A1; 612-EP2270018A1; 612-EP2270113A1; 612-EP2270505A1; 612-EP2272509A1; 612-EP2272516A2; 612-EP2272517A1; 612-EP2272537A2; 612-EP2272813A2; 612-EP2272817A1; 612-EP2272822A1; 612-EP2272825A2; 612-EP2272827A1; 612-EP2272831A1; 612-EP2272832A1; 612-EP2272834A1; 612-EP2272835A1; 612-EP2272841A1; 612-EP2272842A1; 612-EP2272847A1; 612-EP2272848A1; 612-EP2272849A1; 612-EP2272935A1; 612-EP2272972A1; 612-EP2272973A1; 612-EP2274983A1; 612-EP2275102A1; 612-EP2275105A1; 612-EP2275401A1; 612-EP2275403A1; 612-EP2275404A1; 612-EP2275407A1; 612-EP2275409A1; 612-EP2275410A1; 612-EP2275411A2; 612-EP2275412A1; 612-EP2275413A1; 612-EP2275414A1; 612-EP2275417A2; 612-EP2275420A1; 612-EP2275421A1; 612-EP2275469A1; 612-EP2277507A1; 612-EP2277622A1; 612-EP2277848A1; 612-EP2277858A1; 612-EP2277861A1; 612-EP2277862A2; 612-EP2277864A1; 612-EP2277866A1; 612-EP2277867A2; 612-EP2277871A1; 612-EP2277872A1; 612-EP2277874A1; 612-EP2277875A2; 612-EP2277877A1; 612-EP2277878A1; 612-EP2277880A1; 612-EP2277881A1; 612-EP2279750A1; 612-EP2280000A1; 612-EP2280001A1; 612-EP2280003A2; 612-EP2280004A1; 612-EP2280006A1; 612-EP2280008A2; 612-EP2280009A1; 612-EP2280010A2; 612-EP2280012A2; 612-EP2280013A1; 612-EP2280020A1; 612-EP2280021A1; 612-EP2281563A1; 612-EP2281813A1; 612-EP2281815A1; 612-EP2281817A1; 612-EP2281818A1; 612-EP2281819A1; 612-EP2281820A2; 612-EP2281821A1; 612-EP2281823A2; 612-EP2281824A1; 612-EP2284146A2; 612-EP2284147A2; 612-EP2284149A1; 612-EP2284150A2; 612-EP2284151A2; 612-EP2284152A2; 612-EP2284153A2; 612-EP2284155A2; 612-EP2284156A2; 612-EP2284157A1; 612-EP2284159A1; 612-EP2284160A1; 612-EP2284161A1; 612-EP2284162A2; 612-EP2284163A2; 612-EP2284164A2; 612-EP2284167A2; 612-EP2284168A2; 612-EP2284169A1; 612-EP2284170A1; 612-EP2284174A1; 612-EP2284178A2; 612-EP2284179A2; 612-EP2284920A1; 612-EP2286795A1; 612-EP2286811A1; 612-EP2287140A2; 612-EP2287147A2; 612-EP2287148A2; 612-EP2287150A2; 612-EP2287152A2; 612-EP2287153A1; 612-EP2287155A1; 612-EP2287156A1; 612-EP2287160A1; 612-EP2287161A1; 612-EP2287162A1; 612-EP2287163A1; 612-EP2287165A2; 612-EP2287166A2; 612-EP2287167A1; 612-EP2287940A1; 612-EP2289509A2; 612-EP2289510A1; 612-EP2289518A1; 612-EP2289868A1; 612-EP2289876A1; 612-EP2289879A1; 612-EP2289883A1; 612-EP2289885A1; 612-EP2289890A1; 612-EP2289892A1; 612-EP2289893A1; 612-EP2289894A2; 612-EP2289897A1; 612-EP2289965A1; 612-EP2292088A1; 612-EP2292227A2; 612-EP2292228A1; 612-EP2292231A1; 612-EP2292233A2; 612-EP2292234A1; 612-EP2292576A2; 612-EP2292586A2; 612-EP2292589A1; 612-EP2292590A2; 612-EP2292592A1; 612-EP2292593A2; 612-EP2292595A1; 612-EP2292596A2; 612-EP2292597A1; 612-EP2292599A1; 612-EP2292602A1; 612-EP2292603A1; 612-EP2292604A2; 612-EP2292606A1; 612-EP2292610A1; 612-EP2292611A1; 612-EP2292615A1; 612-EP2292617A1; 612-EP2292619A1; 612-EP2292620A2; 612-EP2292621A1; 612-EP2292622A1; 612-EP2292628A2; 612-EP2295053A1; 612-EP2295055A2; 612-EP2295401A2; 612-EP2295402A2; 612-EP2295406A1; 612-EP2295409A1; 612-EP2295411A1; 612-EP2295412A1; 612-EP2295413A1; 612-EP2295414A1; 612-EP2295415A1; 612-EP2295416A2; 612-EP2295417A1; 612-EP2295418A1; 612-EP2295419A2; 612-EP2295421A1; 612-EP2295423A1; 612-EP2295425A1; 612-EP2295426A1; 612-EP2295427A1; 612-EP2295430A2; 612-EP2295431A2; 612-EP2295432A1; 612-EP2295433A2; 612-EP2295434A2; 612-EP2295437A1; 612-EP2295438A1; 612-EP2295439A1; 612-EP2295441A2; 612-EP2295503A1; 612-EP2298312A1; 612-EP2298729A1; 612-EP2298731A1; 612-EP2298734A2; 612-EP2298735A1; 612-EP2298742A1; 612-EP2298743A1; 612-EP2298744A2; 612-EP2298745A1; 612-EP2298746A1; 612-EP2298747A1; 612-EP2298748A2; 612-EP2298750A1; 612-EP2298754A1; 612-EP2298755A1; 612-EP2298756A1; 612-EP2298757A2; 612-EP2298758A1; 612-EP2298759A1; 612-EP2298761A1; 612-EP2298763A1; 612-EP2298766A1; 612-EP2298767A1; 612-EP2298768A1; 612-EP2298770A1; 612-EP2298771A2; 612-EP2298772A1; 612-EP2298775A1; 612-EP2298776A1; 612-EP2298777A2; 612-EP2298778A1; 612-EP2298779A1; 612-EP2298780A1; 612-EP2298828A1; 612-EP2301533A1; 612-EP2301534A1; 612-EP2301536A1; 612-EP2301538A1; 612-EP2301544A1; 612-EP2301912A2; 612-EP2301916A2; 612-EP2301918A1; 612-EP2301922A1; 612-EP2301923A1; 612-EP2301928A1; 612-EP2301929A1; 612-EP2301931A1; 612-EP2301933A1; 612-EP2301934A1; 612-EP2301935A1; 612-EP2301937A1; 612-EP2301938A1; 612-EP2301939A1; 612-EP2301940A1; 612-EP2301983A1; 612-EP2302382A2; 612-EP2302383A2; 612-EP2305219A1; 612-EP2305248A1; 612-EP2305250A1; 612-EP2305254A1; 612-EP2305257A1; 612-EP2305260A1; 612-EP2305627A1; 612-EP2305633A1; 612-EP2305636A1; 612-EP2305637A2; 612-EP2305640A2; 612-EP2305641A1; 612-EP2305643A1; 612-EP2305646A1; 612-EP2305647A1; 612-EP2305648A1; 612-EP2305649A1; 612-EP2305650A1; 612-EP2305651A1; 612-EP2305652A2; 612-EP2305653A1; 612-EP2305654A1; 612-EP2305655A2; 612-EP2305657A2; 612-EP2305659A1; 612-EP2305660A1; 612-EP2305662A1; 612-EP2305663A1; 612-EP2305664A1; 612-EP2305666A1; 612-EP2305667A2; 612-EP2305668A1; 612-EP2305670A1; 612-EP2305671A1; 612-EP2305672A1; 612-EP2305673A1; 612-EP2305674A1; 612-EP2305675A1; 612-EP2305676A1; 612-EP2305678A1; 612-EP2305679A1; 612-EP2305681A1; 612-EP2305682A1; 612-EP2305683A1; 612-EP2305684A1; 612-EP2305687A1; 612-EP2305689A1; 612-EP2305695A2; 612-EP2305696A2; 612-EP2305697A2; 612-EP2305698A2; 612-EP2305769A2; 612-EP2305808A1; 612-EP2305825A1; 612-EP2308479A2; 612-EP2308492A1; 612-EP2308510A1; 612-EP2308562A2; 612-EP2308812A2; 612-EP2308828A2; 612-EP2308831A1; 612-EP2308833A2; 612-EP2308838A1; 612-EP2308839A1; 612-EP2308841A2; 612-EP2308842A1; 612-EP2308847A1; 612-EP2308848A1; 612-EP2308849A1; 612-EP2308850A1; 612-EP2308851A1; 612-EP2308854A1; 612-EP2308855A1; 612-EP2308857A1; 612-EP2308858A1; 612-EP2308861A1; 612-EP2308864A1; 612-EP2308865A1; 612-EP2308867A2; 612-EP2308869A1; 612-EP2308870A2; 612-EP2308872A1; 612-EP2308873A1; 612-EP2308874A1; 612-EP2308875A1; 612-EP2308877A1; 612-EP2308879A1; 612-EP2308880A1; 612-EP2308882A1; 612-EP2308883A1; 612-EP2308960A1; 612-EP2309584A1; 612-EP2311451A1; 612-EP2311453A1; 612-EP2311455A1; 612-EP2311494A1; 612-EP2311796A1; 612-EP2311797A1; 612-EP2311798A1; 612-EP2311799A1; 612-EP2311
DIG Function
Acidulant; Buffering agent
PubChem CID
176
Formula
C2H4O2
Canonical SMILES
CC(=O)O
InChI
1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=176"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 60.05 Topological Polar Surface Area 37.3
XlogP -0.2 Complexity 31
Heavy Atom Count 4 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 01 Infectious/parasitic disease Click to Show/Hide
Ciprofloxacin
API Info
Endocarditis [ICD-11: 1B12]
[1]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Budesonide
API Info
Allergic rhinitis [ICD-11: CA08]
[2]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Doxycycline
API Info
Periodontal disease [ICD-11: DA0C]
[3]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Free fatty acid receptor 2 (FFAR2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 120000 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR2_HUMAN
            DBT Name: Free fatty acid receptor 3 (FFAR3) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 12000 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FFAR3_HUMAN
References
1 FDA label for approved ciprofloxacin from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved budesonide from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved doxycycline from the official website of the U.S. Food and Drug Administration.
4 The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators. Bioorg Med Chem Lett. 2010 Jan 15; 20(2):493-8.
5 Microbiota-Host Transgenomic Metabolism, Bioactive Molecules from the Inside. J Med Chem. 2018 Jan 11; 61(1):47-61.

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