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/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) Succinic acid disodium salt
Succinic-acid
Succinic acid
Butanedioic acid
Ethylene Dicarboxylic Acid

Database Records for Succinic acid disodium salt

Standard InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

Primary compound name: Succinic acid disodium salt 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

bmse000118 bmse000183 bmse000968
CAMP Entries

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

GLS00166 JP003893 JP011660 KNA00523 KNA00524 KNA00525 KNA00526 KO001784 KO001785 KO001786 KO001787 KO001788 KZ000074 OUF00465 PR010238 PR100606 PR101002
BMOD Entries

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

BMOD0000000167 BMOD0000000911 BMOD0000029389 BMOD0000034491 BMOD0000038731 BMOD0000039383 BMOD0000039690 BMOD0000041486 BMOD0000041654 BMOD0000042978 BMOD0000043985 BMOD0000045534 BMOD0000045673 BMOD0000045902 BMOD0000046107 BMOD0000046723 BMOD0000048524 BMOD0000049028 BMOD0000049190 BMOD0000121205 BMOD0000171454 BMOD0000353806