A1AWE
General
Type : Benzodioxo, Sulfur Compound
Chemical_Nomenclature : 2-[(1~{R})-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]sulfanylethyl methanoate || 2-[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]sulfanylethyl carbamate
Canonical SMILES : C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)SCCOC=O || C[C@H](C1=CC2=C(C=C1[N+](=O)[O-])OCO2)SCCOC(=O)N
InChI : InChI=1S\/C12H13NO6S\/c1-8(20-3-2-17-6-14)9-4-11-12(19-7-18-11)5-10(9)13(15)16\/h4-6,8H,2-3,7H2,1H3\/t8-\/m1\/s1 || InChI=1S\/C12H14N2O6S\/c1-7(21-3-2-18-12(13)15)8-4-10-11(20-6-19-10)5-9(8)14(16)17\/h4-5,7H,2-3,6H2,1H3,(H2,13,15)\/t7-\/m1\/s1
InChIKey : OAPSBASJSSKBSD-MRVPVSSYSA-N || SXHLSZZRWZUBRY-SSDOTTSWSA-N
Other name(s) :
MW : 299.3 || 314.32
Formula : C12H13NO6S || C12H14N2O6S
CAS_number :
PubChem : 171936258
UniChem : OAPSBASJSSKBSD-MRVPVSSYSA-N, SXHLSZZRWZUBRY-SSDOTTSWSA-N
Target
References (3)
| Title : Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation - McCullough_2024_ACS.Catal_14_12551 |
| Author(s) : McCullough TM , Choudhary V , Akey DL , Skiba MA , Bernard SM , Kittendorf JD , Schmidt JJ , Sherman DH , Smith JL |
| Ref : ACS Catal , 14 :12551 , 2024 |
| Abstract : |
| PubMedSearch : McCullough_2024_ACS.Catal_14_12551 |
| PubMedID: 39927088 |
| Gene_locus related to this paper: 9actn-k4i6l4 , micch-a0a1z1mz81 , strve-PIKAIV |
| Title : Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation - McCullough_2024_ACS.Catal_14_12551 |
| Author(s) : McCullough TM , Choudhary V , Akey DL , Skiba MA , Bernard SM , Kittendorf JD , Schmidt JJ , Sherman DH , Smith JL |
| Ref : ACS Catal , 14 :12551 , 2024 |
| Abstract : |
| PubMedSearch : McCullough_2024_ACS.Catal_14_12551 |
| PubMedID: 39927088 |
| Gene_locus related to this paper: 9actn-k4i6l4 , micch-a0a1z1mz81 , strve-PIKAIV |
| Title : Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation - McCullough_2024_ACS.Catal_14_12551 |
| Author(s) : McCullough TM , Choudhary V , Akey DL , Skiba MA , Bernard SM , Kittendorf JD , Schmidt JJ , Sherman DH , Smith JL |
| Ref : ACS Catal , 14 :12551 , 2024 |
| Abstract : |
| PubMedSearch : McCullough_2024_ACS.Catal_14_12551 |
| PubMedID: 39927088 |
| Gene_locus related to this paper: 9actn-k4i6l4 , micch-a0a1z1mz81 , strve-PIKAIV |