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

Home
Process a structure file

Publication files:

Submission ID: 4Y3
File name: alatis_output_compound.sdf

Formula: C9F1H15N3O12P3
Compound mass: 469.1475
Compound with ALATIS labels (download):

Download outputs in JSON format here.


Probabilities of the best carbohydrate fragment:

  • Fragment probability: 0.00
  • Compound probability: 0.00


List of identified carbohydrate fragments:



Most similar ligands:

Ligand Expo IDPDB protein complex ID
4Y35C53
DCT2HVH
6GO6
4QZC
9ICS
4K4Y
4DQP
4QZG
4U6P
4BWM
4QZ8
4BWJ
2HVI
4QZB
1S97
3PX4
4ZTU
4QZF
4QZE
3PX6
4QZ9
6GO7
3KTQ
4DLG
2VA2
2FMP
2KTQ
4QZI
3OLB
6GO4
2BPG
4DLE
4QZA
2V9W
2C2R
4N5S
4QZH
2BPF
1TK0
4QZD
6P2G
6KWR
1BPY
3PY8
5IIJ
1T8E
9ICN
NQ46P1X
1S04K4G
5U2R
DCP3SUQ
1LV5
9ICR
5WM8
4RPZ
4FJ8
5WMB
1XS4
4F4Y
4RXR
3IAY
4FYV
6IPM
4TQS
4NLG
4TO4
4QFY
4YR0
4TO5
5DDY
4EEY
4TNP
4DQI
3PW7
3V6H
4TO0
3OHA
3NDK
4FYX
4DTO
1H78
3BJY
4EYH
2ATL
3OLA
4KLD
4QCL
2R8J
3RH5
4M9L
4RQ0
4ZTZ
5KTQ
4TO3
6P1I
2HHU
3GQC
4DTS
3PX0
4TO1
5ZRK
3HT3
4E0D
4RZR
6P1H
3QEV
4FJM
3NE6
2PFQ
2VP4
2AQ4
1S10
5TFJ
6PH6
3EPG
2HVW
3RTV
4RPY
5WM1
4KLE
4DTM
9ICG
2XCP
2JAQ
5V1F
8ICS
6CTQ
1S0N
1NKE
2ALZ
4RPX
6IPI
3K59
3TAN
4YR3
3OSP
4IRK
1PEO
3SNN
5CR0
3V6J
4KLF
5DQI
4RNO
4QW8
4F4X
5V1N
3QEI
2DPI
3SUP
4FK0
5L1I
1Q9Y
5O7T
5CWR
2ASD
3QZ8
2PFP
4YP3
2C2E
4PTF
4FJI
1PKK
4F4W
5JUM
6AS7
3NCI
4I2J
3Q8P
8ICT
3NGD
5V1R
1MQ3
4FS2
3QZ7
3OHB
4YQW

Flag Counter

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).