COM

1-THIOETHANESULFONIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

Find Related PDB Entry
40 entries where COM is found as a standalone ligand5 entries where COM is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of COM

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-THIOETHANESULFONIC ACID
Systematic Name (OpenEye OEToolkits)	2-sulfanylethanesulfonic acid
Formula	C₂ H₆ O₃ S₂
Molecular Weight	142.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCS
SMILES	CACTVS	3.341	O[S](=O)(=O)CCS
SMILES	OpenEye OEToolkits	1.5.0	C(CS(=O)(=O)O)S
Canonical SMILES	CACTVS	3.341	O[S](=O)(=O)CCS
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CS(=O)(=O)O)S
InChI	InChI	1.03	InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
InChIKey	InChI	1.03	ZNEWHQLOPFWXOF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB09110
Name	Coenzyme M
Groups	investigational approved
Description	Coenzyme M (commonly known by its salt form, Mesna) is a synthetic sulfhydryl (thiol) compound and is used for prophylaxis of Ifosfamide and cyclophosphamide induced hemorrhagic cystitis.[A18572]
Synonyms	2-mercaptoethanesulfonic acid Mesna 2-mercaptoethylsulfonate reduced coenzyme M 2-sulfanylethylsulfonate Coenzym M 2-Mercaptoethane reduced CoM CoM Coenzyme M β-mercaptoethanesulfonic acid 2-Mercaptoethanesulfonate 2-mercaptoethanesulphonic acid Coenzima M HS-CoM
Brand Names	Mesna Ifosfamide and Mesna IFEX and MESNEX Mesnex Uromitexan Mesna for Injection Uromitexan Inj 100mg/ml
Indication	Mesna is a uroprotective agent and is used prophylactically to reduce ifosfamide and cyclophosphamide induced hemorrhagic cystitis.[A18572]
Categories	Alkanes Alkanesulfonates Alkanesulfonic Acids Compounds used in a research, industrial, or household setting Cough and Cold Preparations Cytoprotective Agent Detoxifying Agents for Antineoplastic Treatment Expectorants Hydrocarbons, Acyclic Mesna Protective Agents Sulfhydryl Compounds Sulfonic Acids Sulfur Acids Sulfur Compounds
ATC-Code	R05CB05 V03AF01
CAS number	3375-50-6

Related Resource References

Resource Name	Reference
PubChem	598
ChEMBL	CHEMBL1098319
ChEBI	CHEBI:17905

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.