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/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10) Sulfanilic-acid
Sulfanilic acid
4-aminobenzenesulfonic acid
Sulfanilic acid
4-aminobenzenesulfonic acid

Database Records for Sulfanilic-acid

Standard InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

Primary compound name: Sulfanilic-acid 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

bmse000726
CAMP Entries

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

EA065201 EA065202 EA065203 EA065204 EA065205 EA065206 EA065207 EA065208 EA065209 EA065210 EA065211 EA065212 EA065213 EA065214 EA065251 EA065252 EA065253 EA065254 EA065255 EA065256 EA065257 EA065258 EA065259 EA065260 EA065261 EA065262 EA065263 JP005739 KO001847 KO001848 KO001849 KO001850 KO001851
BMOD Entries

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

BMOD0000000679 BMOD0000016105 BMOD0000016274 BMOD0000016531 BMOD0000017799 BMOD0000018013 BMOD0000018564 BMOD0000018689 BMOD0000019817 BMOD0000019986 BMOD0000020173 BMOD0000020328 BMOD0000020591 BMOD0000021159 BMOD0000021675 BMOD0000022300 BMOD0000022608 BMOD0000023106 BMOD0000023107 BMOD0000023256 BMOD0000024124 BMOD0000024252 BMOD0000024325 BMOD0000024888 BMOD0000025069 BMOD0000025183 BMOD0000025511 BMOD0000025531 BMOD0000029252 BMOD0000039903 BMOD0000040644 BMOD0000043647 BMOD0000043653 BMOD0000044086 BMOD0000306360