Menthyl-hexyl-phosphonate

This entry is for the different enantiomers

General

Type : Organophosphate

Chemical_Nomenclature : hexyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid || hexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid

Canonical SMILES : CCCCCCP(=O)(O)OC1CC(CCC1C(C)C)C

InChI : InChI=1S\/C16H33O3P\/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3\/h13-16H,5-12H2,1-4H3,(H,17,18)\/t14-,15+,16-\/m1\/s1

InChIKey : WAVIZOVSJOXCKT-OWCLPIDISA-N

Other name(s) : (1S) or (1R) -Menthyl Hexyl phosphonate group,AC1L9KBO,Hexyl[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]oxyphosphinic acid,Hexyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphinic acid,AC1L9KBM,DB08200,DB08201


MW : 304.40

Formula : C16H33O3P

CAS_number :

PubChem : 446980, 446981

UniChem : WAVIZOVSJOXCKT-OWCLPIDISA-N

IUPHAR :

Wikipedia :

Target

Families : Menthyl-hexyl-phosphonate ligand of proteins in family: Fungal_carboxylesterase_lipase

Stucture :

Protein : canru-1lipa

References (3)

Title : Analogs of reaction intermediates identify a unique substrate binding site in Candida rugosa lipase - Grochulski_1994_Biochemistry_33_3494
Author(s) : Grochulski P , Bouthillier F , Kazlauskas RJ , Serreqi AN , Schrag JD , Ziomek E , Cygler M
Ref : Biochemistry , 33 :3494 , 1994
Abstract : Grochulski_1994_Biochemistry_33_3494
ESTHER : Grochulski_1994_Biochemistry_33_3494
PubMedSearch : Grochulski_1994_Biochemistry_33_3494
PubMedID: 8142346
Gene_locus related to this paper: canru-1lipa

Title : A structural basis for the chiral preferences of lipases -
Author(s) : Cygler M , Grochulski P , Kazlauskas RJ , Schrag JD , Bouthillier F , Rubin B , Serreqi AN , Gupta AK
Ref : Journal of the American Chemical Society , 116 :3180 , 1994
PubMedID:
Gene_locus related to this paper: canru-1lipa

Title : Insights into interfacial activation from an open structure of Candida rugosa lipase - Grochulski_1993_J.Biol.Chem_268_12843
Author(s) : Grochulski P , Li Y , Schrag JD , Bouthillier F , Smith P , Harrison D , Rubin B , Cygler M
Ref : Journal of Biological Chemistry , 268 :12843 , 1993
Abstract : Grochulski_1993_J.Biol.Chem_268_12843
ESTHER : Grochulski_1993_J.Biol.Chem_268_12843
PubMedSearch : Grochulski_1993_J.Biol.Chem_268_12843
PubMedID: 8509417
Gene_locus related to this paper: canru-1lipa , geoca-1lipa