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

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Process a structure file

Publication files:

Submission ID: DBG
File name: alatis_output_compound.sdf

Formula: C23H27N8O13P3
Compound mass: 716.4265999999986
Compound with ALATIS labels (download):

Download outputs in JSON format here.


Probabilities of the best carbohydrate fragment:

  • Fragment probability: 1.00
  • Compound probability: 0.21


List of identified carbohydrate fragments:

  • C5H8N1O4
    Fragment probability: 1.00
    Fragment mass: 146.121
    Fragment main chain atoms: [18, 19, 22, 43, 15]
    Fragment all atoms: [18, 60, 33, 70, 19, 61, 34, 71, 22, 62, 31, 43, 15, 59, 9, 56, 57, 42]



Most similar ligands:

Ligand Expo IDPDB protein complex ID
DBG1CLU
1RVD
GTN
GNP5NO3
6D5H
4KYI
1GUA
1X3S
6FA3
2KE5
6CGD
2KWI
6GNI
6CCX
6BVM
4RCZ
1Z2C
6GQY
5B2Z
3OIW
6GQW
1VG8
6HZ7
2MSE
1XCM
4LBY
6HZ6
4GZL
5CLQ
6FA4
5L3Q
5T62
1K5D
4PC6
6PC2
6HZ9
6FA1
1CF4
6HUF
2GCO
4UPY
5SZI
5GAD
5WDP
4Q66
5CB2
3Q7Q
3QSY
5JBH
6FA2
4C4P
1R4A
3BB1
3RYT
1X1S
4DCN
2PX0
1E0A
4G0N
2LWI
3TH5
1IBR
4HAY
6GOE
1TTT
5L3S
6MQ9
4GOK
2G6B
5WPL
6GOG
4RD2
5UFE
4HAW
3RS3
3R7W
2ZGZ
5WDR
3LAW
3BB4
3RSL
6GOM
6D55
6OB3
6F76
6HZ5
6KYK
5JLJ
6CEY
1G17
2Y8E
6EZE
3KKO
4UJ3
6CU6
5ZC6
4JYB
6D5V
1YVD
3X1Z
3RWM
1LFD
5B30
4UJ5
6CC9
3C5H
5OCO
3TJZ
1TU3
5LZD
2C77
6GQX
3ZJC
1LF0
2EW1
1EFT
4HAX
2MSD
5IQC
3GFT
3X04
4LBW
6GQT
1MH1
5WDQ
3B1X
3DDC
4RKE
1Z08
1WF3
5LZB
2Q9B
5NO2
5UPK
6FRK
3RRZ
1GL6
5USJ
3KKN
1HOO
5IQE
4JR7
5UWH
4KD0
5SZH
1N6N
5IQA
6C5U
4RD4
1RYH
6CH4
6ULG
6CAV
2QTV
2LCF
6D5E
6HZ8
4EFM
3UOQ
6E6P
6E6F
1KY2
3V11
6GOF
4DLW
5NO4
1P2T
1AGP
1P2U
1YZU
6CCH
2Q9C
1IAQ
4HAZ
4ZI2
1CIP
5DHF
5IQH
6CGG
3Q3J
6NC4
5WFO
4PC7
1RRP
4U5X
1P2S
4IDP
4M9Q
3Q72
1S1C
6BVJ
621P
3QBT
3JCE
3FTQ
3BC1
5DIF
5OCT
5VBZ
5WHE
2J7P
4ACB
2BME
1TQ2
4NYM
2F9M
4YC7
1DAY
4JS0
2REX
5WFQ
3TGP
4LHW
3SEA
1G7T
4BAS
6D5G
5UWU
1YZK
5DI3
4BZI
6GZ4
1NVW
2DXF
4V85
1OB5
5IQI
6CUR
5LPN
2ATX
5OCG
5AXN
5WPM
3K9N
2BVN
4L9W
4DLR
5JB3
2RGD
1EK0
4LBZ
4HB2
5X9S
3L8Y
6D5W
1ZC4
5KHO
4V9J
4LBV
3A1U
1Z06
4KCY
5IQB
5UFQ
3SJZ
4WVF
3X1Y
4UPZ
1UAD
3K9L
4RSG
6E6H
3JCJ
1HUQ
3LBH
1JPJ
3OIU
4RKF
6JWP
6D5L
5FPH
4HB4
5IQD
2CL0
4IDN
4HB0
3SBE
3BH6
3IEV
5LZC
1NVV
6BVI
2WJI
1N6H
4HAT
4UJ4
5WFP
3Q85
6CUP
821P
3A58
5UWW
3X1X
4HAU
1QBK
1F5N
5UWI
5XKT
5WLB
3KKM
3EG5
2WIC
6KYH
2PMD
4XVR
5M7H
6D5J
1YZQ
2BV3
1M2O
3LBN
6G12
3RS7
5NIY
4YDH
5WFR
3SBD
4WL8
3OES
3TSO
5DHA
4ZU9
5DH9
721P
4BQZ
3R9W
5UWJ
4HB3
4F38
1KK1
4CRN
1SZ3
6D56
2IC5
1YZT
3RS2
4V9K
1XTR
4XVQ
6OB2
6D59
1R2Q
1AM4
5WDO
1K8R
5SZJ
4UJD
3Q7P
5ADY
2P8X
4EFN
3T1Q
2Q3F
1NF3
4NYJ
5UWQ
2AHO
5XR6
3KKP
5DE3
4HDO
3PIR
6BVL
1B23
5EE9
4DLZ
1TQ6
6HZ4
3OIV
2BC9
3RS4
3SFS
3NKV
1Z07
3RSO
4DLV
1KMQ
1ZC3
4ZI3
3RAB
6E6C
4LC0
1U8Y
4DLS
4KBT
3LLU
3L8Z
2C78
1I4T
5UWR
421P
1R5O
3RS5
3SUA
6GOD
2RGG
5IZM
3PIT
5P21
1HE8
4HDQ
3RS0
2RGB
1OB2
6CES
3RRY
4DLY
5UWO
6GZ5
2P8W
4DLT
5SZK
221P
6D5M
4H1V
4H9G
3K8Y
1N6P
6CIT
2RGE
4KBV
1N6R
1YZN
3V4F
1YU9
4GPT
4V89
4EFL
4GOJ
2P8Z
1WB3
6MBQ
3SU8
3R9X
3LBI
1P2V
5UWP
3CNL
6BVK
4GMX
1N6O
3JCN
5GAF
2YWF
1JPN
1CTQ
5UWS
4G3X
6CUO
6GZ3
1ZW6
4LFI
4BRG
4Z51
5UHV
1YZL
4DLX
2RGA
4UJC
4HAV
2FG5
6MQB
3I3S
4DLU
2RGC
3TNF
6AMB
2OCB
1PUJ
5DI9
6PPK
3E5H
4NYI
3WNB
1SVS
5UWT
1EXM
9GM5VPY
GGM3B1V
5UZ4

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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).