TSA-Phenoxy-Acetoxy-Butane
WARNING: This entry combines two enantiomers of transition state analogue Of 1-Phenoxy-2-Acetoxy Butane
General
Type : Organophosphate
Chemical_Nomenclature : [(2R)-2-[chloro(methyl)phosphoryl]oxybutoxy]benzene
Canonical SMILES : CCC(COC1=CC=CC=C1)OP(=O)(C)Cl
InChI : InChI=1S\/C11H16ClO3P\/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11\/h4-8,10H,3,9H2,1-2H3\/t10-,16-\/m1\/s1 || InChI=1S\/C11H16ClO3P\/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11\/h4-8,10H,3,9H2,1-2H3\/t10-,16+\/m0\/s1
InChIKey : YEIXDWIEYXZUBR-QLJPJBMISA-N || YEIXDWIEYXZUBR-MGPLVRAMSA-N
Other name(s) : (rp,sp)-o-(2r)-(1-phenoxybut-2-yl)-methylphosphonic acid chloride || DB07990 || DB08419 || (R)-((2S)-1-phenoxybutan-2-yl chloro(methyl)phosphinate) || [(2S)-2-[chloro(methyl)phosphoryl]oxybutoxy]benzene
MW : 262.66
Formula : C11H16ClO3P
CAS_number :
UniChem : YEIXDWIEYXZUBR-QLJPJBMISA-N, YEIXDWIEYXZUBR-MGPLVRAMSA-N
Target
Families : TSA-Phenoxy-Acetoxy-Butane ligand of proteins in family
Bacterial_lip_FamI.2
Protein :
burce-q75nt4
References (2)
| Title : Combined X-ray diffraction and QM\/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification - Luic_2008_J.Phys.Chem.B_112_4876 |
| Author(s) : Luic M , Stefanic Z , Ceilinger I , Hodoscek M , Janezic D , Lenac T , Asler IL , Sepac D , Tomic S |
| Ref : J Phys Chem B , 112 :4876 , 2008 |
| Abstract : |
| PubMedSearch : Luic_2008_J.Phys.Chem.B_112_4876 |
| PubMedID: 18386861 |
| Gene_locus related to this paper: burce-q75nt4 |
| Title : Complex of Burkholderia cepacia lipase with transition state analogue of 1-phenoxy-2-acetoxybutane: biocatalytic, structural and modelling study - Luic_2001_Eur.J.Biochem_268_3964 |
| Author(s) : Luic M , Tomic S , Lescic I , Ljubovic E , Sepac D , Sunjic V , Vitale L , Saenger W , Kojic-Prodic B |
| Ref : European Journal of Biochemistry , 268 :3964 , 2001 |
| Abstract : |
| PubMedSearch : Luic_2001_Eur.J.Biochem_268_3964 |
| PubMedID: 11453990 |
| Gene_locus related to this paper: burce-lipaa |