CyC-31

General

Type : Organophosphate, Cyclic OP, Lipase inhibitor

Chemical_Nomenclature : Methyl 4-methyl-2-(undecyloxy)-6,7-dihydro-1,3,2-dioxaphosphepine-5-carboxylate 2-oxide

Canonical SMILES : O([P]1(OCCC(=C(O1)C)C(OC)=O)=O)CCCCCCCCCCC

InChI : InChI=1S\/C18H33O6P\/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\/h4-15H2,1-3H3

InChIKey : FCQOMKXFWPWQTM-UHFFFAOYSA-N

Other name(s) : CyC31


MW : 376.42

Formula : C18H33O6P

CAS_number :

PubChem :

UniChem : FCQOMKXFWPWQTM-UHFFFAOYSA-N

Target

Families : CyC-31 ligand of proteins in family
Carbon-carbon_bond_hydrolase

Structure :
7ZM4

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