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/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 L-tyrosine
L-Tyrosine
(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid
(S)-3-(p-Hydroxyphenyl)alanine
Tyrosine

Database Records for L-tyrosine

Standard InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

Primary compound name: L-tyrosine 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

bmse000051
CAMP Entries

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

BML01095 BML01101 BML82295 BML82296 BML82297 BML82298 CE000224 CE000225 CE000226 CE000227 CE000228 CE000229 CE000230 CE000231 CE000232 KNA00169 KNA00170 KNA00171 KNA00172 KNA00264 KNA00265 KNA00266 KNA00267 KNA00572 KNA00573 KNA00574 KNA00575 KNA00660 KNA00661 KNA00662 KNA00663 KO001862 KO001863 KO001864 KO001865 KO001866 KO004067 KO004068 KO004069 KO004070 KO004071 KZ000054 KZ000163 KZ000164 KZ000165 MT000079 OUF00332 OUF01017 PB000410 PB000411 PB000412 PB000413 PB000414 PR010038 PR030019 PR100035 PR100036 PR100499
BMOD Entries

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

BMOD0000000046 BMOD0000007283 BMOD0000038892 BMOD0000039010 BMOD0000039075 BMOD0000039211 BMOD0000039296 BMOD0000039378 BMOD0000039575 BMOD0000039591 BMOD0000039595 BMOD0000039642 BMOD0000040478 BMOD0000041116 BMOD0000041394 BMOD0000042022 BMOD0000042040 BMOD0000042581 BMOD0000042872 BMOD0000043378 BMOD0000043496 BMOD0000044544 BMOD0000044574 BMOD0000044671 BMOD0000044673 BMOD0000044701 BMOD0000044854 BMOD0000044949 BMOD0000045118 BMOD0000045133 BMOD0000045459 BMOD0000045554 BMOD0000045560 BMOD0000045578 BMOD0000045649 BMOD0000045709 BMOD0000045772 BMOD0000045833 BMOD0000045840 BMOD0000045846 BMOD0000045847 BMOD0000045853 BMOD0000045969 BMOD0000046026 BMOD0000046078 BMOD0000046082 BMOD0000046127 BMOD0000046866 BMOD0000046915 BMOD0000049229 BMOD0000049355 BMOD0000049358 BMOD0000049812 BMOD0000049974 BMOD0000051922 BMOD0000052195 BMOD0000052215 BMOD0000052552 BMOD0000053244 BMOD0000053353 BMOD0000122366 BMOD0000122371 BMOD0000122373 BMOD0000299545