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Substrate Report for: Triacetin

General
Type Acetate, Water-soluble short chain ester, Acyl-Glycerol, Triacylglycerol
Chemical_Nomenclature 2,3-diacetyloxypropyl acetate
Canonical SMILES CC(=O)OCC(COC(=O)C)OC(=O)C
InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey URAYPUMNDPQOKB-UHFFFAOYSA-N
Other name(s) C2-triglyceride ; 2-acetyloxy-1-(acetyloxymethyl)ethyl acetate ; triacetin ; Glyceryl triacetate ; Enzactin ; 1,2,3-Propanetriol, triacetate ; Glycerin triacetate ; Glycerol triacetate ; Fungacetin ; Triacetine ; Glyped ; Vanay ; Triacetylglycerol ; Kesscoflex TRA ; Kodaflex triacetin ; Acetin, tri- ; Triacetyl glycerine ; FEMA Number 2007 ; Triacetine [INN-French] ; Triacetinum [INN-Latin] ; Triacetina [INN-Spanish] ; FEMA No. 2007 ; HSDB 585 ; 1,2,3-Propanetriol triacetate ; 1,2,3-Propanetriyl triacetate ; propane-1,2,3-triyl triacetate ; Acetic, 1,2,3-propanetriyl ester ; NSC 4796 ; EINECS 203-051-9 ; SBB060703 ; BRN 1792353 ; NCGC00091612-04 ; AI3-00661 ; DSSTox_CID_6691 ; DSSTox_RID_78184 ; DSSTox_GSID_26691 ; Triacetina ; Triacetinum ; Triacetin [INN] ; Spectrum_000881 ; Triacetin (USP/INN) ; ENZACTIN (TN) ; AC1L1KKQ ; AC1Q1LBU ; Spectrum2_000939 ; Spectrum3_001368 ; Spectrum4_000362 ; Spectrum5_001376 ; 1,2,3-triacetoxypropane ; 1,2,3-triacetyl-glycerol ; AC1Q1L9A ; UNII-XHX3C3X673 ; BSPBio_002896 ; KBioGR_000823 ; KBioSS_001361 ; MLS002152946 ; 1,3-Propanetriol, triacetate ; 2,3-diacetyloxypropyl acetate ; DivK1c_000740 ; SPECTRUM1500585 ; 1,2,3-triacetyl-sn-glycerol ; SPBio_000878 ; CCRIS 9355 ; CHEMBL1489254 ; HMS502E22 ; KBio1_000740 ; KBio2_001361 ; KBio2_003929 ; KBio2_006497 ; KBio3_002116 ; C9H14O6 ; NSC4796 ; MolPort-001-787-791 ; NINDS_000740 ; HMS1921G05 ; HMS2092O09 ; HMS2232I22 ; Pharmakon1600-01500585 ; NSC-4796 ; Tox21_111155 ; Tox21_201745 ; Tox21_300111 ; ANW-14741 ; AR-1L7042 ; CCG-39680 ; LMGL03012615 ; NSC757364 ; ZINC01530705 ; AKOS009028851 ; AG-K-93584 ; LS-2356 ; NSC-757364 ; TRIACETIN (GLYCEROL TRIACETATE) ; IDI1_000740 ; NCGC00091612-01 ; NCGC00091612-02 ; NCGC00091612-03 ; NCGC00091612-05 ; NCGC00091612-06 ; NCGC00091612-07 ; NCGC00254207-01 ; NCGC00259294-01 ; 1,2,3-Propanetriol, 1,2,3-triacetate ; SMR001224538 ; Triacetin (1,2,3-Propanetriol triacetate) ; E1518 ; G0086 ; ST51046833 ; EN300-19216 ; D00384 ; 4-02-00-00253 (Beilstein Handbook Reference) ; I14-2610 ; Triacetylglycerin ; Ujostabil ; DRA 150 ; Edenor GTA ; Estol 1581 ; Glyceroltriacetate ; Priacetin1580 ; Priacetin 1581
________________________________________________________________________________________________
MW|218.20
Formula|C9H14O6
CAS_number|102-76-1
PubChem|5541
UniChem|URAYPUMNDPQOKB-UHFFFAOYSA-N
IUPHAR|
Wikipedia|Triacetin

Target
Families | Triacetin ligand of proteins in family: Acidic_Lipase, Fungal_carboxylesterase_lipase, Bacterial_lip_FamI.1
Protein | pseae-llipa

References:
Search PubMed for references concerning: Triacetin
    Title: Determinants and prediction of esterase substrate promiscuity patterns
    Martinez-Martinez M, Coscolin C, Santiago G, Chow J, Stogios PJ, Bargiela R, Gertler C, Navarro-Fernandez J, Bollinger A and Ferrer M <32 more author(s)>
    Ref: ACS Chemical Biology, 13:225, 2018 : PubMed

            

    Title: Structural insights into the lipase/esterase behavior in the Candida rugosa lipases family: crystal structure of the lipase 2 isoenzyme at 1.97A resolution
    Mancheno JM, Pernas MA, Martinez MJ, Ochoa B, Rua ML, Hermoso JA
    Ref: Journal of Molecular Biology, 332:1059, 2003 : PubMed