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/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 L-Glutathione reduced
L-Glutathione reduced
5-L-Glutamyl-L-cysteinylglycine
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
gamma-L-Glutamyl-L-cysteinyl-glycine

Database Records for L-Glutathione reduced

Standard InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

Primary compound name: L-Glutathione reduced 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

bmse000185 bmse000952
CAMP Entries

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

KNA00121 KNA00122 KNA00123 KNA00124 KNA00519 KNA00520 KNA00521 KNA00522 KO000824 KO000825 KO000826 KO000827 KO000828 KZ000225 KZ000226
BMOD Entries

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

BMOD0000000169 BMOD0000000895 BMOD0000000899 BMOD0000004803 BMOD0000039518 BMOD0000039583 BMOD0000039862 BMOD0000041199 BMOD0000042337 BMOD0000042582 BMOD0000044044 BMOD0000045558 BMOD0000045690 BMOD0000045716 BMOD0000045807 BMOD0000045813 BMOD0000045916 BMOD0000045924 BMOD0000046037 BMOD0000114159 BMOD0000296131 BMOD0000353715 BMOD0000377255