Malonic-acid

General

Type : Product-like inhibitor

Chemical_Nomenclature : propanedioic acid

Canonical SMILES : C(C(=O)O)C(=O)O

InChI : InChI=1S\/C3H4O4\/c4-2(5)1-3(6)7\/h1H2,(H,4,5)(H,6,7)

InChIKey : OFOBLEOULBTSOW-UHFFFAOYSA-N

Other name(s) : Malonic acid, propanedioic acid, propanediolic acid, Carboxyacetic acid, Dicarboxymethane, Malonate, MLA, COOHCH2COOH, CHEBI:30794, 1,3-Propanoic acid, methanedicarboxylic acid, C3H4O4, Malonate dicarboxylic acid, SCHEMBL336, CHEMBL7942, SCHEMBL1471092, ZINC895212, DB02175


MW : 104.06

Formula : C3H4O4

CAS_number : 141-82-2

PubChem : 867, 23511544

UniChem : OFOBLEOULBTSOW-UHFFFAOYSA-N

Target

Families : Malonic-acid ligand of proteins in family
6_AlphaBeta_hydrolase AlphaBeta_hydrolase

Protein :
9mico-PsEst3 myctu-bpoC

References (1)

Title : Structural and biochemical insights into PsEst3, a new GHSR-type esterase obtained from Paenibacillus sp. R4 - Son_2023_IUCrJ_10_220
Author(s) : Son J , Choi W , Kim H , Kim M , Lee JH , Shin SC , Kim HW
Ref : IUCrJ , 10 :220 , 2023
PubMedID: 36862488
Gene_locus related to this paper: 9mico-PsEst3