CyC-31yne
General
Type : Organophosphate,Cyclic OP,Lipase inhibitor,Alkyne
Chemical_Nomenclature : Methyl 4-methyl-2-(undec-10-yn-1-yloxy)-6,7-dihydro-1,3,2-dioxaphosphepine-5-carboxylate 2-oxide
Canonical SMILES : O([P]1(OCCC(=C(O1)C)C(OC)=O)=O)CCCCCCCCCC#C
InChI : InChI=1S\/C18H29O6P\/c1-4-5-6-7-8-9-10-11-12-14-22-25(20)23-15-13-17(16(2)24-25)18(19)21-3\/h1H,5-15H2,2-3H3
InChIKey : KEBWMUBWIMQLMU-UHFFFAOYSA-N
Other name(s) : CyC31yne
MW : 372.39
Formula : C18H29O6P
CAS_number :
PubChem :
UniChem : KEBWMUBWIMQLMU-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CyC-31yne ligand of proteins in family: Carbon-carbon_bond_hydrolase
Stucture :
Protein : myctu-Rv3569c
References (1)
| Title : Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis - Barelier_2022_FEBS.J__ |
| Author(s) : Barelier S , Avellan R , Gnawali GR , Fourquet P , Roig-Zamboni V , Poncin I , Point V , Bourne Y , Audebert S , Camoin L , Spilling CD , Canaan S , Cavalier JF , Sulzenbacher G |
| Ref : Febs J , : , 2022 |
| Abstract : Barelier_2022_FEBS.J__ |
| ESTHER : Barelier_2022_FEBS.J__ |
| PubMedSearch : Barelier_2022_FEBS.J__ |
| PubMedID: 36197115 |
| Gene_locus related to this paper: myctu-Rv3569c |