OCP

Adduct covalently bound to the active serine after inhibition by the para nitrophenyl phosphonate and elimination of the paranitrophenyl as leaving group

General

Type : Organophosphate, Triacylglycerol

Chemical_Nomenclature : [(2R)-2,3-bis(octylcarbamoyloxy)propoxy]-octylphosphinic acid

Canonical SMILES : CCCCCCCCNC(=O)OCC(COP(=O)(CCCCCCCC)O)OC(=O)NCCCCCCCC

InChI : InChI=1S\/C29H59N2O7P\/c1-4-7-10-13-16-19-22-30-28(32)36-25-27(38-29(33)31-23-20-17-14-11-8-5-2)26-37-39(34,35)24-21-18-15-12-9-6-3\/h27H,4-26H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)\/t27-\/m1\/s1

InChIKey : QRWKUAOYWKHOGP-HHHXNRCGSA-N

Other name(s) : octyl-phosphinic acid 1,2-bis-octylcarbamoyoxy-ethyl ester  ||  AC1L9I0O  ||  [(2R)-2,3-bis(octylcarbamoyloxy)propoxy]-octylphosphinic acid  ||  Octylphosphonate


MW : 578.76

Formula : C29H59N2O7P

CAS_number :

PubChem : 445454

UniChem : QRWKUAOYWKHOGP-HHHXNRCGSA-N

Target

Families : OCP ligand of proteins in family
Bacterial_lip_FamI.1 Bacterial_lip_FamI.2

Structure :
1EX9 5LIP

Protein :
pseae-llipa burce-lipaa

References (2)

Title : Crystal structure of pseudomonas aeruginosa lipase in the open conformation. The prototype for family I.1 of bacterial lipases - Nardini_2000_J.Biol.Chem_275_31219
Author(s) : Nardini M , Lang DA , Liebeton K , Jaeger KE , Dijkstra BW
Ref : Journal of Biological Chemistry , 275 :31219 , 2000
Abstract :
PubMedSearch : Nardini_2000_J.Biol.Chem_275_31219
PubMedID: 10893416
Gene_locus related to this paper: pseae-llipa

Title : Structural basis of the chiral selectivity of Pseudomonas cepacia lipase - Lang_1998_Eur.J.Biochem_254_333
Author(s) : Lang DA , Mannesse ML , De Haas GH , Verheij HM , Dijkstra BW
Ref : European Journal of Biochemistry , 254 :333 , 1998
Abstract :
PubMedSearch : Lang_1998_Eur.J.Biochem_254_333
PubMedID: 9660188
Gene_locus related to this paper: burce-lipaa