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

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Process a structure file

Publication files:

Formula: C₁₂H₂₁N₄O₈P₁S₁V₁
Compound mass: 463.29660000000007
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
TMV	4BRH
TPS	1G4S 3NL3 2QRY 5DD7 3NM3 2HOM 3C9T 3NL6 2Y6Z 2TPS
FTP	1G4T
TPP	4JUC 4RJJ 6EFG 4ZP1 5D9U 2JIB 5XS6 5INV 2R5N 4QPZ 2AG1 1OVM 5EJ9 2V3W 3RIM 2IHT 3HWX 5EUJ 3AI7 2X7J 4MPR 3IHK 2IHV 2PGN 6EFH 1QPB 2AG0 2XTA 5INU 6R2C 4QQ8 2VK4 5I5E 6GUA 2JLA 4RJK 6MFM 3EXE 1UPB 1Z8N 1PVD 3ZHQ 2YIC 1AY0 5IMS 2W93 1NI4 1Y9D 1UPC 4D5G 4C7X 6CIN 1ITZ 4JUB 4K9O 6CIO 1UPA 4MPJ 4RJI 2VK1 5NPU 3EXF 1POW 2VJY 2C3M 5XU2 2HOL 2UZ1 6CIQ 2PDA 3EKI 3C9U 3AHF 5B46 3EXH 6BD9 5HYV 5I51 5C4I 1B0P 4K9P 3ZHR 2JLC 3M7I 4JUF 2VK8 2JI8 1NGS 6DEK 3UPT 2XT9 1V5F 5TMA 5EXD 6I2R 2XT6 5DX6 6A50 1QGD 3S4Y 5ND5 4D5E 2CKY 3K0J 2Q29 2VBI 5A65 2C42 2Q28 1JSC 5AHK 4COK 1R9J 6N2N 5FEM 3D2G 4K9Q 2HOK 2HOJ 3IAF 6N2O 1N0H 4K9K 2GDI 6I2Q 2C3O 5CM7 2OZL 6BD3 3MEL 2PGO 5XRV 3E79 2EZ4 2Q27 4TKR 1OZF 2NXW 5XQA 3AHJ 1POX 1BFD 2VBF 4K9M 5HJE 4MQ5 3AHC 3E78 1TRK 3M34 5XPS 3M6L 5B47 3MOS
TDP	1U5B 1X80 1UMC 2PAN 3EYA 2O1X 1PYD 1MCZ 2IEA 3M49 3LQ4 2FWN 5DGD 5ESD 1QS0 6HAD 6HAF 1UMB 2QTA 3OOY 6CER 1V1M 1OLX 1V16 1W85 5DEI 1L8A 5HHT 3LPL 1X7Z 3EY9 6RJB 1X7X 1UMD 1W88 1OLS 4KXX 3LQ2 2BFE 1V11 5Z2R 1OLU 4KGD 1DTW 1X7W 4KXU 2O1S 4KXW 2BFB 4KXV 5ESO 1X7Y 2BFD 5Z2U

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).