CyC-32yne

General

Type : Organophosphate, Cyclic OP, Lipase inhibitor, Alkyne

Chemical_Nomenclature : Methyl 7-methyl-2-(undec-10-yn-1-yloxy)-3,4,5-trihydro-1,2-oxaphosphepine-6-carboxylate 2-oxide

Canonical SMILES : O([P]1(CCCC(=C(O1)C)C(OC)=O)=O)CCCCCCCCCC#C

InChI : InChI=1S\/C19H31O5P\/c1-4-5-6-7-8-9-10-11-12-15-23-25(21)16-13-14-18(17(2)24-25)19(20)22-3\/h1H,5-16H2,2-3H3

InChIKey : JNDIQVWQRWSHAC-UHFFFAOYSA-N

Other name(s) : CyC32yne


MW : 370.42

Formula : C19H31O5P

CAS_number :

PubChem :

UniChem : JNDIQVWQRWSHAC-UHFFFAOYSA-N

Target

Families : CyC-32yne ligand of proteins in family
Carbon-carbon_bond_hydrolase

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 :
PubMedSearch : Barelier_2022_FEBS.J__
PubMedID: 36197115
Gene_locus related to this paper: myctu-Rv3569c