Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:43:11 UTC
Update Date2024-10-13 11:58:39 UTC
Metabolite IDMMDBc0031657
Metabolite Identification
Common NameEthanesulfonate
DescriptionEthanesulfonate is a member of the chemical class known as Depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually -amino and -hydroxy acids), commonly but not necessarily regularly alternating. It is also called Coenzyme M. Coenzyme M is a coenzyme required for methyl-transfer reactions in the metabolism of methanogens. The coenzyme is an anion with the formula HSCH2CH2SO_3. It is named 2-mercaptoethanesulfonate and abbreviated HS
Structure
Synonyms
ValueSource
4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoateChEBI
CamostatumChEBI
N,N-Dimethylcarbamoylmethyl 4-(4-guanidinobenzoyloxy)phenylacetateChEBI
4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoic acidGenerator
N,N-Dimethylcarbamoylmethyl 4-(4-guanidinobenzoyloxy)phenylacetic acidGenerator
FoipanChEMBL
CAMOSTAT mesilATEChEMBL, MeSH
Ethanesulfonic acidGenerator
EthanesulphonateGenerator
Ethanesulphonic acidGenerator
CAMOSTAT mesilic acidGenerator
FOY 305MeSH
Foy-305MeSH
FoypanMeSH
N,N-Dimethylcarbamoylmethyl-4-(4-guanidinobenzoyloxy)phenylacetate methanesulfonateMeSH
Camostate-mesilateMeSH
FOY S 980MeSH
CamostateMeSH
Molecular FormulaC20H22N4O5
Average Mass398.4125
Monoisotopic Mass398.159019834
IUPAC Name4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate
Traditional Namecamostat
CAS Registry Number59721-29-8
SMILES
CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1
InChI Identifier
InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
InChI KeyXASIMHXSUQUHLV-UHFFFAOYSA-N