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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

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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

Protein :
pseae-llipa burce-lipaa

References (2)

1. Crystal structure of pseudomonas aeruginosa lipase in the open conformation. The prototype for family I.1 of bacterial lipases

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 : Nardini_2000_J.Biol.Chem_275_31219

ESTHER : Nardini_2000_J.Biol.Chem_275_31219

PubMedSearch : Nardini_2000_J.Biol.Chem_275_31219

PubMedID: 10893416

Gene_locus related to this paper: pseae-llipa

2. Structural basis of the chiral selectivity of Pseudomonas cepacia lipase

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 : Lang_1998_Eur.J.Biochem_254_333

ESTHER : Lang_1998_Eur.J.Biochem_254_333

PubMedSearch : Lang_1998_Eur.J.Biochem_254_333

PubMedID: 9660188

Gene_locus related to this paper: burce-lipaa

Array
(
    [id] => 4332
    [inhibitor] => OCP
    [type] => Array
        (
            [0] => Organophosphate
            [1] => Triacylglycerol
        )

    [other_name] => Array
        (
            [0] => octyl-phosphinic acid 1,2-bis-octylcarbamoyoxy-ethyl ester
            [1] => AC1L9I0O
            [2] => [(2R)-2,3-bis(octylcarbamoyloxy)propoxy]-octylphosphinic acid
            [3] => Octylphosphonate
        )

    [chemical_nomenclature] => [(2R)-2,3-bis(octylcarbamoyloxy)propoxy]-octylphosphinic acid
    [formula] => C29H59N2O7P
    [cas_number] => 
    [mw] => 578.76
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Nardini_2000_J.Biol.Chem_275_31219 || Lang_1998_Eur.J.Biochem_254_333
    [comment] => Adduct covalently bound to the active serine after inhibition by the para nitrophenyl phosphonate and elimination of the paranitrophenyl as leaving group
    [gene_locus] => pseae-llipa || burce-lipaa
    [kin_inhibitor] => 
    [cid] => 445454
    [family] => Bacterial_lip_FamI.1 || Bacterial_lip_FamI.2
    [inchikey] => QRWKUAOYWKHOGP-HHHXNRCGSA-N
    [canonicalsmiles] => 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
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)