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

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Process a structure file

Publication files:

Formula: C₁H₂O₁
Compound mass: 30.0259
Compound with ALATIS labels (download):

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

List of identified carbohydrate fragments:

Most similar ligands:

Ligand Expo ID	PDB protein complex ID
FLH
FOR	5LBM 4P40 1R1L 4KFE 1PW1 1OAO 2WYL 1WYK 3HBE 6R1E 3ETC 3TAX 1JLY 2RUS 5MCT 5LVS 4LRS 1JLX 5MCW 1RDG 4WYC 6RXN 6G1D
CO2	4UDX 4JNP 4ZRG 6H87 6B9C 4JNS 2UZA 1KEK 4WMC 2FVY 6I8W 5BQ1 2XVX 3B9Z 3QNC 2OLQ 5DSO 5DPH 2VVA 4JNR 2D2J 5IRP 4WWB 4K1W 2H31 5Y2R 2X7P 4WM9 4F0K 2D2H 2PXZ 3D92 4A5R 5YUI 1E5H 6HG5 5LS7 6P1M 3D93 6Q5B 4IP4 5Y2S 6JBE 1KRC 3Q6J 5CJL 5DSI 5T13 6BHP 2C3Y 3U7C 6QQ9 2I61 5MOX 4WZ5 2BGI 2VBK 6HFC 2VVB 6H2C 4ZAA 6BD3 1R3Q 2OLR 5CLJ 6DEO 5INV 4WWD 2D2G 6JB4 6DEN 3B52
ARF	4M8L 4OMX 2OMG 4QT6 3UB8 4WEB 3K4V 4MHL 3NDU 4NX3 2E2L 4NFP 2OMH 3NDT
ACU

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

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.

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