CHCM

9gamm-a0a7h9sp49 (Acinetobacter sp. JNU9335 Carboxylesterase AcEst1, Hormone-sensitive_lipase_like) enantioselectively hydrolyzed into (S)-CHCM

General

Type :

Chemical_Nomenclature : methyl cyclohex-3-ene-1-carboxylate, methyl (1R)-cyclohex-3-ene-1-carboxylate, (1S)-cyclohex-3-ene-1-carboxylate

Canonical SMILES : COC(=O)C1CCC=CC1

InChI : InChI=1S\/C8H12O2\/c1-10-8(9)7-5-3-2-4-6-7\/h2-3,7H,4-6H2,1H3 || InChI=1S\/C8H12O2\/c1-10-8(9)7-5-3-2-4-6-7\/h2-3,7H,4-6H2,1H3\/t7-\/m0\/s1 || InChI=1S\/C8H12O2\/c1-10-8(9)7-5-3-2-4-6-7\/h2-3,7H,4-6H2,1H3\/t7-\/m1\/s1

InChIKey : IPUNVLFESXFVFH-UHFFFAOYSA-N || IPUNVLFESXFVFH-ZETCQYMHSA-N || IPUNVLFESXFVFH-SSDOTTSWSA-N

Other name(s) : methyl 3-cyclohexene-1-carboxylate  ||  Methyl cyclohex-3-enecarboxylate  ||  3-Cyclohexene-1-carboxylic Acid Methyl Ester  ||  methyl cyclohex-3-ene-1-carboxylate  ||  3-Cyclohexene-1-carboxylic acid, methyl ester  ||  SCHEMBL91215  ||  Methyl (R)-cyclohex-3-ene-1-carboxylate  ||  Methyl (R)-3-cyclohexene-1-carboxylate  ||  3-Cyclohexene-1-carboxylicacid,methylester,(1R)-(9CI)  ||  3-Cyclohexene-1-carboxylicacid,methylester,(1S)-(9CI)  ||  methyl (S)-cyclohex-3-ene-1-carboxylate  ||  3-Cyclohexene-1-carboxylic acid, methyl ester, (1S)-  ||  SCHEMBL11982130  ||  SCHEMBL9613490


MW : 140.18

Formula : C8H12O2

CAS_number : 6493-77-2,    68000-20-4,    68000-21-5

PubChem : 96926,    11367040,    10855541

UniChem : IPUNVLFESXFVFH-UHFFFAOYSA-N,    IPUNVLFESXFVFH-ZETCQYMHSA-N,    IPUNVLFESXFVFH-SSDOTTSWSA-N

Target

Structures : No structure

Families : Hormone-sensitive_lipase_like

References (1)

Title : A novel carboxylesterase from Acinetobacter sp. JNU9335 for efficient biosynthesis of Edoxaban precursor with high substrate to catalyst ratio - Dou_2020_Bioresour.Technol_317_123984
Author(s) : Dou Z , Xu G , Ni Y
Ref : Bioresour Technol , 317 :123984 , 2020
Abstract :
PubMedSearch : Dou_2020_Bioresour.Technol_317_123984
PubMedID: 32827974
Gene_locus related to this paper: 9gamm-a0a7h9sp49