Logo Cheminformatics Tool for Probabilistic Identification of Carbohydrates
(CTPIC)
v 1.1 (Spring 2020)

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Process a structure file

Publication files:

Submission ID: UOB
File name: alatis_output_compound.sdf

Formula: C11H17N2O10P1
Compound mass: 368.23320000000007
Compound with ALATIS labels (download):

Download outputs in JSON format here.


Probabilities of the best carbohydrate fragment:

  • Fragment probability: 1.00
  • Compound probability: 0.46


List of identified carbohydrate fragments:

  • C5H6N1O5
    Fragment probability: 1.00
    Fragment mass: 144.1052
    Fragment main chain atoms: [8, 11, 23, 9, 7]
    Fragment all atoms: [8, 36, 15, 39, 11, 5, 33, 34, 22, 21, 23, 9, 37, 13, 7, 35, 20]



Most similar ligands:

Ligand Expo IDPDB protein complex ID
UOA6CY2
UOB6CY4
UPV2LVY
OMU1VQ4
2KWG
6AZ1
2XFM
6AZ3
1GSG
3T3O
6Q98
6OLE
1I3Y
6MTC
3JCS
6QNR
5MDY
5WE6
5FDU
5F8K
1VQO
5T5H
1VQN
6QZP
1YI2
6MTD
6OUO
4V6P
3J0T
6EK0
5IT8
3CME
5WF0
6O97
4V8X
3G4S
2DQO
6CZR
5WE4
1S72
2DQP
3CD6
1YJ9
6OXA
6OLF
6MTB
5LZD
5LZC
2DPC
3OT0
3J9Y
4V6N
6MTE
5J8A
5E36
3DW5
5J88
5J91
4V6L
6U48
4JYZ
6Q9A
5L3P
6C4I
3J0W
4YBB
6ORL
4GCW
5FDV
6OSQ
3CCL
5LZE
6NDK
3CC2
5JC9
4ZER
6C4H
1YHQ
6OT3
3DVV
3O7V
1JBS
5J5B
5IQR
3CC4
4V6S
2OTJ
4V6Q
3J14
4V6R
1VQ6
1YJN
3CCU
5WFS
6OSK
5WFK
3HR3
6OLI
3MJ0
3G6E
6HRM
6QNQ
5LZF
6I7V
5LZB
3O6E
3KIQ
4V6V
1VQ5
2OTL
3J0Y
3J12
3G71
3I55
5NP6
3T3N
2QEX
1YJW
5U4I
5MDZ
3CCQ
4BYB
3J11
6OST
1VQ7
4V6O
5WDT
5D99
4BYD
6OM0
3CCJ
4V7J
1VQ8
5MDV
3IZT
4V6K
6OM7
4V9F
5KCS
1VQK
3KIS
5DUN
1YIT
5AFI
6ORE
1NAO
3I56
3CCS
5MDW
4HUB
1VQ9
3CCV
3CCE
6Q97
3CC7
1VQL
2DQQ
3DW4
5GUH
1YIJ
3J37
5LZA
5KCR
1VQM
3CCR
3CMA
5J7L
2QA4
5V8I
1VQP
3CCM
3IZU
T38410D

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Citation:

  • Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

Disclaimer:

  • The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
  • The NetwrokX library is used in the CTPIC source codes.
  • The Open Babel software package is used in the CTPIC source codes.

Contact:

For any question or concern please contact Hesam Dashti (hdashti@bwh.harvard.edu).