2-Mercaptoethanesulfonate

HCID 4077

基本情報

標準SMILES: O=S(=O)([O-])CCS
InChIKey: ZNEWHQLOPFWXOF-UHFFFAOYSA-M
分子式: C2H5O3S2-
平均分子量: 141.19 g/mol

概要

Coenzyme M(1-) is an organosulfonate oxoanion that is the conjugate base of coenzyme M; major species at pH 7.3. It is a conjugate base of a coenzyme M.

名称と識別子

優先名称: 2-Mercaptoethanesulfonate
IUPAC: 2-sulfanylethanesulfonate

名称と別名

2-mercaptoethanesulfonateRefChem:9099852-sulfanylethanesulfonatecoenzyme M(1-)coenzyme M anionH-S-CoMCHEBI:58319BBL033929BDBM50247978AKOS025248140NCGC00178318-01NCGC00178318-02

名称をさらに表示

NCGC00178318-08PD013089SBI-0051698.P002AB00053617_07AB00053617_08Q579229

データベース識別子

PubChem CID: 4077
ChEBI: CHEBI:58319
Nikkaji: J1.892.070K

物性

構造計算による物性

XLogP: -0.7
極性表面積: 66.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 7
形式電荷: -1
複雑度: 105

実験および物理化学的性質

Human DrugsBreast Feeding; Lactation; Milk, Human; Protective Agents

安全と法規制

毒性情報

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

化学と産業

薬理情報

MeSH Pharmacological ClassificationSynthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.