News
  • Aug 2018: Initiation.
  • March 2019: Added search by name function.
  • July 2019: Updated Gateway user interface.
1. Input structure format

If you upload a file with one of these extensions, this value will be set automatically.

2. Auxiliary options

If the input structure is a 2D structure, you can check this box to get a 3D project of the structure:

If hydrogen atoms are missing from the structure, you can check this box to add hydrogen atoms:

3. Upload or paste input structure

Upload a structure file (one compound per submit):

File

OR Paste a structure (if a file has been uploaded we process the uploaded file)

You can download an example input file.
4. Submit

Or view an example results page.

Search by name
Search by InChI
Hint: You can use '?' to specify unknown chirality.
InChI Most common names Image
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1 L(-)-Glutathione, oxidized
Glutathione disulfide
GSSG
Oxiglutatione
Oxidized glutathione

Database Records for L(-)-Glutathione, oxidized

Standard InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1

Primary compound name: L(-)-Glutathione, oxidized expand_more
GISSMO Entries

GISSMO enables the efficient calculation and refinement of spin system matrices (chemical shift and coupling constants) against experimental 1D-1H NMR spectra of small molecules

bmse000906
CAMP Entries

CAMP is a webserver for computational mapping of MS peaks of a given small molecule to all possible fragments of the compound

KNA00181 KNA00182 KNA00184 KNA00584 KNA00585 KNA00587 KO002929 KO002930 KO002931 KO002932 KO002933 KO008986 KO008987 KO008988 KZ000208 KZ000209 PR100134 PR100135 PR100557
BMOD Entries

Biomolecular Modeling Database (BMOD) is designed to archive and provide force field parameters of small molecules for different molecular modeling software packages.

BMOD0000000155 BMOD0000000753 BMOD0000000849 BMOD0000039398 BMOD0000039486 BMOD0000039910 BMOD0000040550 BMOD0000040564 BMOD0000041400 BMOD0000042157 BMOD0000043106 BMOD0000043189 BMOD0000044091 BMOD0000045612 BMOD0000045640 BMOD0000045891 BMOD0000046024 BMOD0000046104 BMOD0000046117 BMOD0000048487 BMOD0000048737 BMOD0000049481 BMOD0000113850 BMOD0000299883