2-ethylhexanol

product of hydrolysis of MEHP Mono(2-ethylhexyl)phthalate

General

Type :

Chemical_Nomenclature : (2S)-2-ethylhexan-1-ol

Canonical SMILES : CCCC[C@H](CC)CO

InChI : InChI=1S\/C8H18O\/c1-3-5-6-8(4-2)7-9\/h8-9H,3-7H2,1-2H3\/t8-\/m0\/s1

InChIKey : YIWUKEYIRIRTPP-QMMMGPOBSA-N

Other name(s) : 2EH  ||  s(+)2-ethylhexanol  ||  (S)-2-Ethylhexan-1-ol


MW : 130.23

Formula : C8H18O

CAS_number : 128821-84-1

PubChem : 6991980

UniChem : YIWUKEYIRIRTPP-QMMMGPOBSA-N

Target

Families : 2-ethylhexanol ligand of proteins in family
Hormone-sensitive_lipase_like

Structure :
8W98

Protein :
sulad-g8tv28

References (1)

Title : Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme - Verma_2024_Structure__
Author(s) : Verma S , Choudhary S , Amith Kumar K , Mahto JK , Vamsi KA , Mishra I , Prakash VB , Sircar D , Tomar S , Kumar Sharma A , Singla J , Kumar P
Ref : Structure , : , 2024
Abstract :
PubMedSearch : Verma_2024_Structure__
PubMedID: 39642872
Gene_locus related to this paper: sulad-g8tv28