| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
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Home Process a structure file Publication files: |
Submission ID: SAC
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Formula: C5H9N1O4 Compound mass: 147.12890000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H5N1O3
Fragment probability: 0.84
Fragment mass: 104.08439999999999
Fragment main chain atoms: [2, 4, 5]
Fragment all atoms: [2, 14, 15, 7, 18, 4, 16, 6, 5, 9, 10, 19]
C5H8N1O4
Fragment probability: 0.73
Fragment mass: 147.12890000000002
Fragment main chain atoms: [2, 4, 6, 3, 1]
Fragment all atoms: [2, 14, 15, 7, 18, 4, 16, 5, 9, 10, 19, 6, 3, 8, 1, 11, 12, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| SAC | 2KWO 1XXJ 1XY3 2AUC 1R56 4UFA 5Z85 3AG4 6G2J 2EIN 6NKN 3AG2 1R51 5B3S 3ABK 2QAC 3GKO 2DYR 1WS3 3AG3 6G72 4CW6 4CW3 5IY5 5WAU 6NMF 2EIL 5XDQ 1WS2 2EIJ 5Z84 5ZCQ 2XQQ 5Z86 6J8M 5B1B 3ASN 5X1F 4OUA 2FXL 5W97 3AG1 5X1B 2EIM 6NMP 5B1A 2DYS 5ZCP 5ZCO 2EIK 4CW0 5X19 1R4S 1V55 3ASO 3WG7 1EVU 5XDX 4CW2 1WRR 1V54 1R4U 3X2Q 4M4G 1B0B 1XT4 3CVQ |
| AYA | 5IDA 1J4U 1J4T 1VBO 1D0W 1AH4 4KUD 2V4I 6G2J 1OUW 6G72 6FYY 1VBP 5ID8 4KUI 1EKO 5JZZ 6FYX 1AH3 |
| AAC | 1QD8 1NG3 5AZ8 |
| THC | 3AH8 1MPA 2HR0 5XXK 2MPA |
| GZJ | 6DN8 |