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(Rc,RpSp)-3

The adduct on the active serine is methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate C9H13O4P YPAATCUNRIAADK-SECBINFHSA-N IAN

General

Type : Organophosphate

Chemical_Nomenclature : [(R)-(chloro-methoxy-oxidophosphaniumyl)-methoxymethyl]benzene

Canonical SMILES : COC(C1=CC=CC=C1)[P+]([O-])(OC)Cl

InChI : InChI=1S\/C9H12ClO3P\/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8\/h3-7,9H,1-2H3\/t9-,14?\/m1\/s1

InChIKey : LQYRXVWBXIMHNY-UCWRFOARSA-N || YPAATCUNRIAADK-SECBINFHSA-N

Other name(s) : IAN

MW : 234.61

Formula : C9H12ClO3P

CAS_number :

PubChem : 101959147, 51049660

UniChem : LQYRXVWBXIMHNY-UCWRFOARSA-N || YPAATCUNRIAADK-SECBINFHSA-N

IUPHAR :

Wikipedia :

Target

Families : (Rc,RpSp)-3 ligand of proteins in family: Fungal_carboxylesterase_lipase

Stucture : 3RAR X-ray structure of a bound phosphonate transition state analog and enantioselectivity of Candida rugosa lipase toward chiral carboxylic acids

Protein : canru-1lipa

References (1)

Title : Insights into the molecular basis of chiral acid recognition by Candida rugosa lipase from an X-ray crystal structure of a bound phosphonate transition state analog - Colton_2011_Adv.Synth.Catal_353_2529
Author(s) : Colton IJ , Yin DT , Grochulski P , Kazlauskas RJ
Ref : Adv Synth Catal , 353 :2529 , 2011
Abstract : Colton_2011_Adv.Synth.Catal_353_2529
ESTHER : Colton_2011_Adv.Synth.Catal_353_2529
PubMedSearch : Colton_2011_Adv.Synth.Catal_353_2529
PubMedID:
Gene_locus related to this paper: canru-1lipa