U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C2H4O5S.H2O
Molecular Weight 158.13
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFOACETIC ACID MONOHYDRATE

SMILES

O.OC(=O)CS(O)(=O)=O

InChI

InChIKey=IWPVKNZTNOPDLI-UHFFFAOYSA-N
InChI=1S/C2H4O5S.H2O/c3-2(4)1-8(5,6)7;/h1H2,(H,3,4)(H,5,6,7);1H2

HIDE SMILES / InChI

Molecular Formula C2H4O5S
Molecular Weight 140.115
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Pyrophosphate analogues as inhibitors of herpes simplex virus type 1 DNA polymerase.
1980 Mar 28
Ethanedisulfonate is degraded via sulfoacetaldehyde in Ralstonia sp. strain EDS1.
2001 Jul
Preparation of sulfoacetate derivatives of cellulose by direct esterification.
2003 Apr 4
Sulfoacetaldehyde is excreted quantitatively by Acinetobacter calcoaceticus SW1 during growth with taurine as sole source of nitrogen.
2005 Apr
The DUF81 protein TauE in Cupriavidus necator H16, a sulfite exporter in the metabolism of C2 sulfonates.
2007 Sep
Sulfoacetate released during the assimilation of taurine-nitrogen by Neptuniibacter caesariensis: purification of sulfoacetaldehyde dehydrogenase.
2008 Aug
Differential inhibition of cytosolic PEPCK by substrate analogues. Kinetic and structural characterization of inhibitor recognition.
2008 Feb 19
Sulfoacetate is degraded via a novel pathway involving sulfoacetyl-CoA and sulfoacetaldehyde in Cupriavidus necator H16.
2010 Nov 12
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:16:06 GMT 2023
Edited
by admin
on Sat Dec 16 07:16:06 GMT 2023
Record UNII
2P8287IJQ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFOACETIC ACID MONOHYDRATE
Systematic Name English
2-SULFOACETIC ACID MONOHYDRATE [MI]
Common Name English
ACETIC ACID, 2-SULFO-, HYDRATE (1:1)
Common Name English
ACETIC ACID, SULFO-, MONOHYDRATE
Common Name English
Code System Code Type Description
CAS
6155-83-5
Created by admin on Sat Dec 16 07:16:06 GMT 2023 , Edited by admin on Sat Dec 16 07:16:06 GMT 2023
PRIMARY
FDA UNII
2P8287IJQ7
Created by admin on Sat Dec 16 07:16:06 GMT 2023 , Edited by admin on Sat Dec 16 07:16:06 GMT 2023
PRIMARY
PUBCHEM
20112241
Created by admin on Sat Dec 16 07:16:06 GMT 2023 , Edited by admin on Sat Dec 16 07:16:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID70210538
Created by admin on Sat Dec 16 07:16:06 GMT 2023 , Edited by admin on Sat Dec 16 07:16:06 GMT 2023
PRIMARY
MERCK INDEX
m10353
Created by admin on Sat Dec 16 07:16:06 GMT 2023 , Edited by admin on Sat Dec 16 07:16:06 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE