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

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Process a structure file

Publication files:

Submission ID: VEA
File name: alatis_output_compound.sdf

Formula: C₃₃Fe₁H₃₁N₄O₅
Compound mass: 619.4667999999982
Compound with ALATIS labels (download):

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

Fragment probability: 0.38
Compound probability: 0.09

List of identified carbohydrate fragments:

C₂H₃
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [1, 7]
Fragment all atoms: [1, 43, 44, 7, 59]
C₂H₃
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [2, 8]
Fragment all atoms: [2, 45, 46, 8, 60]

Most similar ligands:

Ligand Expo ID	PDB protein complex ID
VEA	2ZVU 3MOO
HEM	6NHF 3HXN 2M56 1A00 2B7H 4GYD 4CX6 1JNI 1C7C 3PGH 1UC3 2QRW 2EWI 6CAW 1FGJ 2G0S 1MN1 5AG0 6I8K 2AXX 6F88 6NBC 1OR6 1Y4Q 2LZZ 5IRQ 4IXQ 2KMY 1RYC 1K0Y 1E7P 4B7G 3QM4 3O5C 1D4C 4M4B 4UUR 5FUJ 6ONQ 4QYQ 2GC7 5WHS 4ZVA 1VRN 2KII 6OM5 2A9E 5OXT 3UFO 1J0Q 1DNU 1RS7 5C2I 2K3V 3TTT 4K5F 4FVY 6BNR 1ZRT 2Y79 1SOG 5OHF 5MNV 1NS6 3BK9 1DO9 6F8C 4UGZ 5IXR 3NN4 1QJS 2LDO 3QU8 1AXX 2GKM 4QOL 5VV4 1CXY 5D8O 5D8Y 1GKS 4XRZ 3UOI 6DHZ 4W7J 4HAJ 1DKE 3NLD 4LWB 2ZQX 1V4W 3ISE 1BFR 2XVX 1EWH 4D1P 4GT2 5CX7 3QQR 2EUS 4U9D 2KSU 2XKR 6DHP 4UH6 5K1L 1FS9 3ECZ 1JME 1NX7 2CIB 4G3J 6DS7 3JT9 4LWA 1C8J 1VRE 1S5L 5VV5 4TO9 1HKO 1VXA 6QBX 6JNU 1WNW 3HSN 3TF8 1U75 2VZ7 4UQS 1FS7 3HHB 5GJ0 1F4T 3MOM 3UOF 2I89 3CYT 3M4B 1OJ6 4R20 3TFD 6HQT 1XZ5 3NLT 3G1Q 2NOX 2Z47 2QJK 2W72 3WTG 2V1K 1LFY 2J7A 5KDZ 1AEJ 1BGY 3IR5 4FBY 6J87 3ZJI 1P2H 5VBU 1CYJ 4KQ8 1CMY 5WMX 6DHG 6NLK 2Q7A 3UFW 3PI3 3N2R 3E08 1CPQ 4APY 1RWJ 5UO8 3FWG 1GGK 5GUW 3NLW 3Q08 1KIB 5HPW 1DIQ 6P42 5ABO 3SZK 6G5O 4HGH 1F03 5VUY 4G2C 6HIT 4XMH 1FCB 4XV8 2QJY 3QF1 4JET 5LKV 1JEB 2VXI 1O76 3LB2 1N6B 1G0A 5FVX 3N5T 1DWS 3G4R 4NVD 2RBU 2OLP 2VEE 2CDV 4WJG 2FYN 3A51 3NBT 6NH8 5D3U 3TYW 6HQR 4USC 5VVG 2NNH 1Y5N 3IR6 6ECJ 4QI7 3UHK 4QZP 1QDB 3E1L 3PT7 4O4T 1LG9 1OZW 6DWN 2Y6A 3OUQ 5EET 3RE8 6QC4 3HNJ 2KIL 4FDH 6AV6 2VLY 2ISA 4K8F 3NMK 5X2S 3P9P 3EBS 3IQ6 1YFF 1QQW 5EV5 3OK5 5HS1 1IT2 3KUN 1CYO 1Y5I 1Y5F 5C6Y 1NBB 1MOB 2YRS 6NGK 6J3Z 4M05 5UOC 3CLI 1YHU 1CYC 5ADN 5NDC 1DSG 3AE3 5E6E 3TDA 3EJB 1D4D 3MKB 1N9H 5KYO 5FVR 2YK3 3NC3 5HY8 5U6W 3WMM 5U5X 3NA0 2W31 3N5Q 1NGK 5VEU 2W3H 3G93 2J0D 4XVA 6F17 5L1O 5ALA 2QJP 1Y0D 5X2U 6J7I 1MYH 5SYK 3MGX 1HBR 1DVH 5VUU 6JLL 3SWJ 4FVX 1QLB 3B3M 1MLO 6QQ6 2VHB 6NBD 1JRY 6ONG 1YVQ 1S67 4RKN 1NWN 3N60 4DVQ 5KKZ 4UMZ 1SDL 6CXV 1QO8 6G5B 4WJY 1UIW 3HYU 3FVB 3CX5 4IPS 1A3O 4KCH 3NP1 2B12 6MQ0 1EYS 5VJ0 6A4I 1SH4 5Z9J 4KPB 5D8Q 4GL7 2PCC 4CWZ 1NSI 2ZSY 4K5E 3UHZ 3OIA 3WMO 3CAO 2J2M 3SFD 1MG2 4FAA 1CPF 1M1P 3BKN 3UGY 4EGO 6NH4 3K8B 3NMI 2D3Q 4GU7 1MYM 3L71 2CY3 6J83 2IJ5 4COO 4C27 1MYJ 3WCW 6AUW 1CLS 1KB9 4UH4 2VR0 2D0W 1CTZ 3UHU 3ZS0 4YMP 2XQ1 6HQK 5UNT 1LFV 5E58 2E84 4Q54 2RGZ 1APX 5FNE 4RKM 4Z0L 3D1A 2G6I 1K2T 4G7R 2N91 2BCC 3H1L 4CAS 1FHF 6BL3 1DUW 1Q2O 3EKD 3FOO 4WNT 5T7H 1CG5 1DSP 4NKY 2HHB 3CZH 3BJ1 3MK7 2OYY 5O1L 1DK0 5MX2 3OFU 2G6H 3M29 6ONK 2WU5 1LY8 5VWS 4V8K 6Q3E 4B7S 5D8X 2DN1 3WCU 3R1A 5XMJ 3RJ6 3E6O 3E1M 6FO2 6AYC 4U8U 1H3J 2A1O 4O7G 1UVX 1MTI 1GWS 4KTF 5C3J 5B5E 3BNJ 1QXD 2W09 4HIN 1JGC 3VR9 1P84 4BJK 1PL3 2NSS 5GKN 4UZI 2Z36 2ZSZ 2MGK 4TUV 4CAQ 1MYF 2R4Z 3EQM 5XTE 5O64 3TTX 2G11 5G67 3CXY 2Q6N 5UFJ 3VRE 2AUR 4BIM 5ME2 4BM1 2XVY 1GBU 2HBF 2FKZ 3MDV 3LXI 1ZZU 5ZE8 3QJV 2Y3Q 6FSH 4KMV 5X2R 1GDK 3BCC 6CIE 5MNS 4NVB 1ZO9 1Z10 3WCT 6IAO 3N6B 1RPS 4RRT 3FKG 1VXD 3B75 6AUX 3C63 4TOE 4V3U 5VVN 1IZL 5GPN 4MU8 4F4O 6E45 1T68 6BL4 4ZE2 4C51 4HI4 3NSE 4B7D 1CZJ 2MYD 3H1I 3SJ5 3M5Q 4D37 6QZO 4N4J 6DAL 3GKV 5UNW 3UFS 2AV3 4N0K 3DAN 4H0J 1Y2Z 1F04 5JRU 5GNL 3QZL 3A0H 6NGY 5D1V 1NP1 6MV0 6NLM 6I91 5LIV 5CIG 3TTW 5AD5 1Q16 3RR3 2X5U 2WJM 4IL6 3A15 1OR4 3AT6 2IG3 1JEX 3WSP 1H1O 1D4E 2IJ7 1CCE 2NNB 1TGU 3M79 1Y4V 2PG5 3FMU 4TOF 2MTA 4RSZ 4IXR 1LQX 4DNZ 4TOC 1YIQ 2DC3 6NH1 4UIQ 4D6T 5JDO 1Y8K 4WD4 1P7Z 1COT 3W4U 2ZQJ 2E76 3B3O 1M7V 4DUA 9NSE 5CN6 2D2C 3HQ8 3TYL 1A9W 4EJG 3NW2 5AGN 1VAF 4HBI 1KSS 2FR7 2WDQ 1MLU 4UH5 1MN2 3N5W 1LH1 1A0U 2JTI 1YH9 4JEA 5C58 6HBW 4UG5 4CU0 6NBL 6DHF 2E9E 4ATJ 3NBS 4C9K 5ZZE 4GL5 4CAB 1NAZ 1N97 4CAP 2Y5Z 5BU7 1M6C 1PQ2 2E81 2I96 4FB2 3UH6 5TIS 2N18 1DZ9 3RGP 4CUO 4N7N 4HC3 4N4L 4CK8 5M3L 3RQP 3E65 3QJD 3HRW 4QOQ 1DGF 1MWB 1NTF 2XIL 19HC 1MNI 4KF0 1CL6 6IQ5 2EVK 3Q09 1MBA 4IMW 4M11 1MLG 1M1Q 1CBL 4NL5 3ZBY 3EGW 5VUS 1EW6 6NLN 3SJ1 5B2W 3E1Q 1ATJ 2OIF 3KMF 5KQ6 3JBT 3KS0 5TFT 3KK6 1DVV 3VRA 1NU1 5OY2 1CHH 3NT1 1SJ2 2GRZ 2ATJ 6F0C 2ZBO 6M7X 4DC7 5VVB 3ZJM 5XZJ 2BVJ 3PT8 6CWW 4TOA 2BC5 2GB8 4H24 3KX5 3OJ1 1SQV 3UAS 5TI9 3I9T 5KAF 3UHD 3GQG 4Y8W 5XNM 1IKE 1B86 4XYD 3NQS 3A17 1J52 2G6L 1EZV 1VYD 2AA1 3NPL 4N4O 1SE6 4KCK 1JAF 5HLU 3L70 6HU9 1X3X 3NU1 2DV2 3M39 3ZJ4 1Y4Z 4RUI 1MKO 3NLK 2CYM 6NGQ 1HT5 5E78 4FNI 3GAS 5AD4 4C9O 4OGQ 5A12 4H0L 1RTX 3QZM 1LJ0 4YBN 3S48 4ZGX 4JPU 5SXR 6CKE 1DW1 2ORP 5AJR 2WHW 1GCW 4GP4 1CBM 1K2O 1EQH 5D8P 1ZP0 3NWL 6E42 4M10 2PCB 2YYW 1TH4 1YG5 6NT1 4G7S 3DBG 1QPW 2SPO 1MYZ 2WH8 4W7L 1ZOY 4FCS 3K3U 1LFK 1NML 4QI3 1Q9I 1LH3 2QFK 5VUI 2CCA 2B2S 3QZN 3ZJQ 1DZ4 5UNY 2E75 2RBT 1A4E 5TE8 3WR1 2M33 1DJ5 1HSR 1C7D 5VUO 4I8V 3NMJ 4M08 1GDI 4GQS 1GX2 1ETP 6CSD 1IRD 5NI1 4TPN 3AWQ 4O1Z 1YEQ 6H1S 4ZFB 1DZ8 3ELL 5UO3 1XYE 3UHI 1MOC 1RZ6 1TH3 1F5O 4D3K 1RZ5 2Y37 1GDV 3UBV 2FXG 1KSU 5MMS 3BNG 4B8N 1NPG 5BV5 3HQ6 3EU1 1C53 5PRC 3P6Q 4ZE1 1XZV 4PQB 1JBQ 2R4Y 4KCM 5ZM9 1JPZ 3N62 5GWE 3TF0 2VE3 1MLH 4YTN 4O1W 6CII 4HRT 3L4D 4L27 2JJN 3VEC 4MQJ 2H8F 4UGC 7CPP 5K8Z 2NSE 1FAW 1D7B 2J9B 1PGF 4D2Z 1B5M 1XZ2 4F05 6NSZ 4MM0 6L3Z 3LAI 5V3V 4N4M 1J41 6NG1 3SN5 4N4N 6NGE 6BD7 5JNZ 6H1T 4AW3 3S1J 2E74 5IBD 5UTA 6DHE 3EJD 1QWL 6JNT 3GK9 1OM5 3VOO 3DE8 1M54 4D3A 3WRL 5EYS 3RUR 1G9V 3ZJJ 6JS9 3VED 1SMJ 1V4U 4ZF8 3E6I 6DHH 3UHT 4DY9 1GBV 3BVD 1NZ3 1U56 4R1Z 1DXT 1XK3 6F8A 2GTL 2HHE 1P3T 1CH4 4A71 4NK2 3UHX 1MDV 1C7B 3LAH 6ELH 6F19 1NTK 4L28 2E39 1WVE 3DHR 1EKY 3E4N 5GJ1 4LHT 1HDS 2BS4 4MF9 1P2Y 7CCP 4KCR 1IQC 5D40 6NSY 3TTU 3E1O 6I43 5MAU 3S65 2BS2 1SPG 7CAT 1V9Z 3TGB 1HBZ 4ENR 4EGM 1SHR 1IB7 4D39 1O16 1GGH 1FDH 5HU6 1P6H 3IA3 2RFC 2QLA 1RQ4 1D7C 3CXV 3WCV 1EW0 2Y5N 2MGJ 5B6Q 6IYH 4TNJ 5UHU 2YP1 5G0N 6C94 6P41 5TZ1 1DNW 4H1N 1JRX 5X2T 6DI4 5KQ2 6CRE 1HGB 3HQ9 3GHQ 6NGU 1ABY 4F6F 1Z8P 5ZGS 2FDW 2OYE 5COX 4XS0 6IHX 4BLX 2HI4 3KX4 3TK3 2HTN 3ZSN 1CP4 3GYS 3NLM 6NG5 3L73 4EJH 5JRX 1EUE 3M15 4DUF 5UCU 3JX1 1H55 2CYP 3E5L 5J8K 5U5V 2CTH 2B7S 1QI8 2ZS0 1CED 1HDB 1Q5D 4FW0 1KYO 3D17 1DMJ 4HGI 1DGG 4UHA 1R35 1YEA 4G51 1RS8 1SQX 3PI2 1LDC 3CZY 1SIW 1SUO 3C62 4AVD 4H44 1H57 4B7H 4K5G 5LI7 5FIW 5AD7 3NN3 3TOL 2WJN 3DSI 1X9F 5K90 5V5R 2DGE 1V0H 1HCZ 4JSF 1WR5 4Y1Q 1ARX 4BLZ 6NGF 6NLI 1CPW 3HNL 3E1N 1OAH 1VXE 2WUZ 3IC0 5LK9 1OZR 1G08 5SYX 2H8D 3E5K 2ZSS 5B5M 1FE1 5GT2 3VRM 5J7Y 3NLX 1DXV 3QZZ 3S1I 1Y5J 3E1J 5U3I 5KSI 3A50 5D8S 4UPM 1BFX 5L92 3Q9A 5XDH 4YU4 1LR6 5EX6 3T3S 3P6T 5VUJ 1GGF 3NOS 5GTI 1U74 4BLN 1Y0A 4D1O 3EL3 1MG3 1Y45 4C9P 1HHO 5AGP 3SWZ 3TOM 3MVF 4WNV 2IIZ 4YTM 2GJ1 3M25 3N6D 4UB8 1N40 3N8Z 3NFE 1EBT 4BFL 3ISF 4TOG 3NG6 3JX6 5DJQ 4UH0 5EK3 3QMO 3B99 1G0B 4CZN 2MGF 4E6K 1LYK 1Y7G 6ATJ 5L02 3MVC 1P6L 5KQ0 1F1C 4L0F 4QOP 5TIA 2ZLX 6NGR 3ERH 7ATJ 5VUX 4XXL 4QOR 4FYZ 4FM5 6NG8 4DWU 4B2Y 1P6N 4CAM 1M9P 4TNK 1SP3 5B51 1QOM 4EV3 6HK2 4NKX 2HBS 5A13 4UHL 3LF5 4WPD 5KT8 5MDX 1J51 2DHB 1AWP 3NTG 1FS8 3HOK 4D38 4G3R 6HQL 5JTD 3JT5 2PAC 3QJT 4PV1 4GGV 1MBD 4G46 2HHD 3H1H 5Y5G 3ABB 3G5N 1OXA 1S6V 3HF4 1UT0 4TOB 3C6G 5ADA 4ENP 1GWI 5CN5 3TBG 3TFE 2PBJ 3WU2 6FO6 2FXH 1BE3 6JLM 6NGX 3R5I 3A18 2LH1 6NIN 5D8R 6CIF 3WRM 4K9U 1SI4 2WDR 4D7J 4EGN 3CYR 5CIH 3LB1 5L90 2JBL 2VYW 1Y4P 5AGF 3DHT 1Y22 1HBA 1J7W 5FVZ 2QLS 5E79 2E3A 3O7N 4NKW 1TU9 1HBB 6AUY 3NMM 5FRB 3IS8 1AEN 1GEJ 4UII 1FHB 3QNR 6J79 4Y4S 3QZO 1YGD 4V62 6IED 4MU5 5G6P 3E1P 4ENT 4UPT 1Z11 2VLZ 1JZK 1BVB 1NXF 5L31 3KW4 3QOA 3DSK 1MLK 6IBN 4JE9 5SW7 1JP8 5WDJ 1Y7C 5B2V 5H2F 2WM5 6J40 3P6S 4UH7 4BY0 5WVE 4LUW 6JLU 5ADB 1Y4G 3QQQ 1BEQ 4N4K 6I2Z 5ZIQ 6PQD 5B84 4UPO 1IWI 6DA8 5M0O 3OV0 5YEM 2VN0 3E4Y 3M4C 4DUC 3AED 3TF9 4P4Q 2MB5 5FVW 5UNR 1P6M 5U5W 6CC6 3NTB 3LHB 6I8E 3L72 1DMI 5ZZN 1XY0 3N3S 4AU9 4KF2 2RFB 2W6V 1Q5E 1CH5 2VZM 5MBN 3VU3 6JLO 1MYI 5U60 3MYN 4IJ2 6BY0 2W3D 3E6T 4FWZ 5VUQ 1NP4 1KR7 3PRQ 1ITH 1J7S 6A3L 4EID 3UHC 3GQR 1HJT 3NLQ 102M 3N3N 5FUK 1J0P 4QOM 4TOD 1U17 2W3E 4U9G 4CTT 5IBJ 5OHE 4X0I 6CSB 3FNL 6IYI 3SEL 3QJC 2FMY 1YE0 4FDK 1O1N 3OUE 4CTX 5SXQ 4UGY 6I8I 3NNZ 5XHJ 3CXH 5XA3 1GVH 4YE1 4ZDZ 4H0K 1CRH 4L6G 1CPG 6J85 5Y5M 3AYF 3N3P 1SY7 5ETW 5VZO 2QD2 2OJV 2QSS 2ZLU 5WOH 1D0C 6AV2 3IS7 3NN2 3B3P 3MDM 5OMU 1B7V 1NOO 1V5H 3E2C 2RI4 5Y5J 2CVC 5V3U 4U72 1NQP 1OUU 2NW8 4TOH 3AE6 4L3V 6II1 2Z3U 6FWF 4QON 1Y35 1X7U 2MGE 2FFN 2UWH 6MPY 3BNH 6KAD 1R2C 1DM7 4O1T 4CX3 5IQX 1QXE 2A3P 1LHT 1ZOA 5UNZ 3E7G 2YCC 4A78 1GCV 1XZ7 6JSC 2FDV 5M3S 1Y4B 1DWW 2MHB 3HF2 2QU0 4IMX 1SQP 2YIU 3RQO 3WC8 4J6B 1YIE 2EUN 3N9Y 6MQ1 3NER 5XJN 6HQD 2WIY 3T3Z 4NKZ 3W08 6CHI 2XJ5 4CTZ 6BDD 1AC4 1IW1 1YWB 5UNV 5VUZ 2VV7 2B2R 2GHD 5EK2 4MPM 3N5V 5HH3 3TGU 6BWP 1DP9 1G09 3TUW 4FDQ 1P3U 1ILX 2HX2 4HSX 3P99 2QSP 5VUL 5VUM 1IPH 3C2C 1XZ4 1ZO4 2ZT1 6GIQ 3TIK 1M7S 3CY5 1ARW 4D1N 1FSX 1SCH 1WAD 1S5Y 6J3Y 4TX3 5CHQ 1MBC 4KEY 1R1Y 1FSL 5TXQ 4D7D 3HB6 1JY7 5LFG 3PNG 1ABW 6MJM 3B6H 5WBG 4UG8 1VXH 1LTW 2RCM 1S5X 4MVP 1Q4G 5FVP 1MLS 2QFN 3SIK 6QQ5 3E7T 3Q9K 5O1M 3FWF 1HBH 1B85 3A59 3PI8 2A3M 3AT5 1Q90 2EFB 4RVY 1Z8U 1FT5 5WOG 5ADK 2XIF 1CTJ 1FAG 4KEW 1T86 3D4X 3G4V 4MQK 1YZR 5WMW 2CIZ 1IT3 1DGB 1I77 2EWU 1WOW 2BKM 5IBI 3A5B 2HCO 2Q8P 3IC2 3KOH 2IBJ 3OZW 3TZO 3AE9 6A7J 1J40 3NIU 4Z5Q 1Y0P 1CH9 1A0Z 3NWV 5OHX 5G6O 2P85 3SFE 1Y7D 1AET 6DAC 3WFB 3PNF 3PEL 5URC 3R5O 4UZV 4CKA 1CCG 4DTZ 1I3D 6JSB 4JMS 2H89 3N8Y 2B2O 2V7I 5UO1 5VVD 4W7O 3EEE 2D60 1LJW 4CTP 1F4J 1MYG 4D34 3DQR 2CD8 4B4Y 1U55 3LN0 1PRC 6B11 3RIV 3NLH 2GQX 3NLJ 2Z3T 4KCJ 4DUE 2V0M 4HDL 1LS9 3MYM 3UI0 6FKS 3D1K 5EAF 3GW9 2ZT9 6E44 2HBD 3JT4 5YQ7 4F6G 1FCD 4BF4 1FFT 3AWP 6FKT 1BIJ 4JSL 3HC9 2BW9 6ONX 1XQD 6HWH 5MBA 2IQF 4UGM 4E2P 1K2U 5UNS 2E3B 2WX2 1U9U 3R9B 5EXQ 1CPO 1HGA 3QW0 3BZ2 2R80 1LFT 6NH2 2ZS1 1LGF 6JLN 1UYU 1UB2 4CCX 6NLL 6NGB 2V1E 4JOU 4CDP 1OUT 4A6Z 1OFK 5LTE 3NLI 1NEN 1O1K 1DWX 6DWM 6QC3 1PPJ 4H13 3JWX 3VEG 2NSI 1XXT 2GLN 3N6E 5GNM 3WRI 1Z8O 6I8P 4N8T 3EJ6 3OFT 2IBZ 4OQR 4DL1 5ADL 5VV3 2B7R 2G12 1SOF 1ZZQ 2QD3 3P6X 4V3Y 6AY4 3N63 6FO0 3J2T 3A4H 3WRJ 3N8F 4NI1 3HEP 2ZUJ 6B82 4C39 4YT3 5EOH 1F4U 5IKI 1YYD 4BMM 2LH2 1BAB 4AJ9 3FS4 3E68 1UED 1CGO 4FNH 5JHZ 2AS6 4MQG 2AT3 6NGL 2J5M 2GRH 2CZS 5LI6 1QSI 6BME 1XZU 3DGI 2NP1 3WRK 3DR0 3H1K 1U9M 1S66 1CIK 5G6Q 6BB5 1CTM 5CYT 1UMO 3M38 6CO5 1Y4R 6N03 1D7W 5AMM 5OG9 6NHB 1ZBZ 4UH2 5B72 1J77 3AQ9 6NH6 3S66 1HRC 3ARK 1PBX 2GRF 5NMI 5UOD 3WFD 1EQG 5VUP 1YEN 4V3V 3EBD 1C52 1NEJ 6I8Q 5G0P 5YHJ 1L2K 1GWT 5GTH 1CK6 4F6D 2CXB 3BJ2 4W7M 3QB9 1IBE 1NM0 1CF9 3E5O 6E8Q 3L74 5L94 1BUW 5VV9 5L86 4NVI 3LQD 1VXC 6PQ6 5VTS 3A4Z 1A6G 5K91 2VRV 5IKD 2G6N 3UFU 2BCN 3ZK5 6L2J 3N5P 4CUN 4MQI 3NL7 1OZE 3GDJ 3R4X 3A0B 1F24 1O1P 3H4N 6J84 3N6A 2YLJ 3ODQ 1EHE 1CCH 3T3R 1AA4 3UHH 2R50 3E4E 3WEC 4CX1 3E6L 1NOD 1WLA 2YBB 3HX9 6Q3D 2FWT 1DSO 1LM3 2A1M 3MUS 5J4Z 4K9W 4UPS 5Y8A 1MTJ 5A1P 1BIN 3MDR 4XMC 5CNF 5UO9 2PG7 5AL9 1M9J 3BJ3 4D3B 5EUI 4DU2 4KLC 3CCP 1CIF 1OZL 3NN1 4M4A 4D30 2YYX 5G6E 1EGY 1LSV 4G7T 1EWA 5O17 5UO6 1D2V 6RQF 3N66 6QC2 3G53 1PGG 5KDQ 1EBC 1CMP 6RK0 6E46 5ADI 4FVC 4YUU 3QVY 4UVR 6ADQ 2NW7 4D7H 1JIN 1YWA 1OYK 5SYL 6I40 2NZ5 3TTV 4YT0 4NOS 1JWJ 4CPP 1BEK 5SX3 2X2N 4ENH 6NGT 5WV3 5AGO 3A16 2OHB 4QZJ 5XE1 2O0G 2A1N 2PT3 6AI5 4U99 5CWE 4BM3 1WE1 3QVZ 4G7G 3LGM 3HSP 3X39 1YQO 2CCY 3PC4 6BDK 1JZL 3DUT 3NLE 5K1E 1HGC 1HBS 3LN1 3HNI 4PD4 3SJ0 4EUX 3HCN 1CPE 2YXC 5Y5K 4CWW 1C6O 4CTY 6R63 3QJQ 4CVI 2OWJ 4N7O 1VAG 103M 6MYU 6NLG 7NSE 6JP1 1MWC 3JT3 4D6Z 5DYZ 5LI8 1ITK 5Y5S 4LJJ 1CFM 1VF5 6GEO 3O1A 3TLD 2VV6 1H5I 3UBC 4CK9 3NML 5ESH 1OAG 1WIY 3WFC 3KX3 1SXX 3RGS 3UFP 3PRC 5IBF 4JYQ 1YVT 5IRV 1JDL 3G4Q 4QZO 1JP9 3PC3 2A06 1IO8 3QZX 3OCK 4QJQ 1BCF 4ENS 4V3Z 4NVC 3WUI 3J7B 1QWM 1HAB 2OH9 1AW3 3M2H 4GQE 5KLI 3TNK 2ZUH 5GYR 5VCD 4UGE 3B98 1V07 5CIC 111M 1DF1 1IYN 2D5Z 4EJJ 2W3G 3JX0 1S0H 1P0W 3K4F 4JSI 4M09 4W7N 1FOC 3DAX 4UGS 5CNE 3QM7 4ESA 5O27 5VVC 1YE2 3N69 2FBW 1AJH 3PI9 3BNF 1IWJ 1IW0 1JWN 1U7S 6EKY 2V1F 1LSX 4CTV 2G6K 4A5G 5UOB 1RAP 3TFG 1X8Q 5Y1I 1IRC 1H97 6F85 3P3O 3R1B 3N61 2CAG 3NLY 5B2X 5SXT 4F6J 3IA8 2BLJ 1FT6 3ORD 1HV4 3NM0 6C3H 1IO9 3IQ5 3G5H 6PRC 5LLZ 1VHB 3X35 6RO8 1QW4 5XTI 4PWV 5KQK 2ZFB 4COX 1AEH 6G94 5CHR 3WCP 3M28 1AQE 1KD2 4QZL 1JRZ 6EHA 3M26 3UHG 5CIE 1VXB 3M2B 5B3I 3E67 1NTM 1AEM 6J86 5U5Y 3SXV 3ZKP 5ZLE 4PK5 6HAL 2WGY 2LQD 5VIA 6KAF 1KFR 101M 6NGI 1M64 1F6H 5L1V 5CIF 3UHN 4CTW 4KSZ 2MGB 1Y5K 3P5Q 5OY1 4PJ0 1W92 1Y5L 6DHO 4AC5 1SCT 4V3W 4L0E 2ZLW 3K9V 4GN6 3VM9 1DRM 6N02 1CMQ 1YIH 2FRI 4HGG 1M2M 6BMG 4UG6 1R1X 4O4P 3VR8 3IVY 1DM6 109M 4ICT 2J4S 3JUS 3MOU 2ZT0 3RWL 1O1L 1KQG 5AD8 5DE9 4XRY 3ZJO 5WHR 1N5U 2GC4 6HQP 3N3Q 3DSJ 3MJP 3ARC 3CIU 3UFQ 4I4H 2CEP 2BMM 2WM4 4K0F 2PG6 5UT7 5L1R 4KMW 6G5Q 3VRG 3OGW 4O6T 2AUP 1BZZ 6D45 4I7Z 4UHI 1D7D 2GJM 1Y31 6NG7 4RLR 4L20 4GP8 5UCW 3P6M 2X5W 2OH8 2WIV 1QCR 3VOL 3N6C 1T1N 4B7F 1O1O 2Z6S 4ILZ 3GPH 1LFQ 4QAO 1W5C 4DUD 1RCP 1GLI 2NOD 1XK1 2F9Q 1Y4F 1YQP 6HN8 4FH7 2G0V 1Z9N 4E37 3RUK 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4JSK 3WYO 1AKD 1PKF 4MQH 1BGP 5WHQ 2ZT4 2IA8 4XME 2CIV 3ME6 1LWL 5U5Z 2BLH 5VLX 5L1T 4D6U 1CH7 1AQA 1HDA 1MBN 5VCC 5VUK 4D36 5W58 4WG2 1H58 3JUV 3AEC 6AUZ 1IX4 2MGL 1EA1 1WNV 3AYG 1SXW 5NKV 3K1O 1SY1 4UGR 5HBI 2G0Z 2AH7 6E40 4NVK 2X5L 5ESN 4UGW 2D2M 1EHK 1D1V 1GWH 4CTR 3JT6 8CPP 3VTJ 1P3V 5SYW 1N9F 1XJ3 5JKV 1LY9 4KCN 6AUU 6BDI 5LIE 6ONR 3M3B 1QWS 6SVA 4WNU 4UG9 3A1L 2V7K 3GKT 5OJC 2ACP 6PQW 2RCH 3FH9 4R21 6L41 5VJU 1DWV 4L4B 5XW2 2NNJ 4C44 1MDN 5Z9I 2MYC 2ICV 2X66 3A5G 3NLV 4ZDY 4YOF 4G98 6A7I 1DO3 2GTF 1CRC 3ZIY 1GWF 2XIH 1FOO 1KXN 3TGM 4YTP 2ZT3 3RQN 5G5J 6OO9 2V2E 3AEG 2CMN 3S79 2HQ2 1SPE 6EKX 4UGP 4NSE 4CDT 3NLO 6BLD 5QJ3 2VYY 1IWH 1AEU 2C2C 3N5S 1BZR 1YCC 4UGF 4L4E 3ATJ 4TNI 2ORQ 3OVU 3CQV 2AL0 3FLL 2VNZ 4KTK 4UGX 1DMK 4YSZ 6MQ6 3B47 1B2V 5FNB 1HLB 1I5U 3TYI 3M27 3CV8 1EBE 3UHV 1BLV 4TYX 4G45 2C7X 4H07 1HSY 5UVB 2HBC 5UL0 2ZST 3FM6 4PNJ 4L1Z 1LFZ 5GUX 3L63 4EP6 5AWI 4JQJ 1CCJ 2QPD 3UH3 4PQC 5UEC 1X46 5HDI 2B2Q 1W0F 4JEB 3X32 5VZN 2BK9 3AFV 1N3U 1IVJ 3TYN 4G7P 1F1F 1JL7 6H6I 3CXZ 107M 5KKK 5FSA 6A4Y 4ZE3 4O6U 3MJU 3H58 3M2D 2G3H 1ABS 1M6M 6COX 1PHA 1DTI 1DT1 3JWY 1NEK 4SDH 4K9X 4CFT 3S3A 1ROM 3VLL 6PQS 1CCB 3N8V 2ALL 3IBD 5JOM 4XZD 3P3Z 7PRC 1LT0 2R7A 1MQF 6NT0 3JWT 4MSF 1D5L 5G6D 4O79 3CCX 6CIR 5X7E 5EAE 5EAD 2WU2 5G66 1IO7 4G7U 1MLR 4KPA 1CCC 2XKI 5SX0 1L9B 1HBI 1M9T 6LCO 4O2G 2EUT 3QL6 6DA2 3V6Q 2Z6F 2NOS 6GK6 4ZV8 4OQ7 2CCP 6BDH 2AS1 5G6K 6L9E 4DC8 5G6L 1S6A 3EH5 3VRB 1V9Y 2EUR 1QHU 6E03 6I7F 4V3X 2B4Z 6CCP 1JF3 3R99 1CPR 8CAT 6NGS 5SXS 3MVR 3A4G 5Z7E 4JQN 4BLL 1CCK 5B4Z 3UFV 1CIO 4UGJ 1NZ5 3LB3 1O1J 1MLN 4KVJ 4QZK 1P6J 3QM6 5JHX 1RSE 4HPB 2FC1 5O1K 6OOB 4HIL 5U61 3PY4 3SDH 2NWB 5YSM 3TFF 1JCI 1OYL 4AM2 6J7A 2HYS 2Q9F 4UQR 5FJ2 4S0Y 5D5R 1AOF 1SY2 2VKU 3ZJR 5EAB 2CP4 4TRI 3DY5 3NA1 1SOX 4G8U 3NYH 1IWK 6JT2 4JBT 1RAQ 1F26 5EK4 1CMT 3X34 6EGZ 5JGG 1LH6 2IVF 3NNY 1FOL 3JWU 2ZAX 5B2Y 5ESE 1H5L 3PI4 3V8D 4GP5 6NHD 5OMS 6CR2 6F0B 4D75 4JMB 2J19 351C 1D2U 1BBB 1SI6 2Y46 4CAR 1D1W 1CGN 5WMU 1E93 4BM4 3IW2 1IO3 4JQM 1CSW 4WQJ 5LTH 3P6P 1LH5 2X68 5ESM 4KTL 3NLP 4G48 4OZ5 2CIY 1AED 4OEK 3L62 1F25 2MGG 5ADG 1KRJ 6PRR 2OHA 5UT8 3JT8 3MM3 6NSE 2CIX 1C2R 1OFJ 5G6C 2G5G 3EBF 6CUK 3PM0 4H8P 2QPP 4F68 4UQH 4EJI 1J02 1VXG 5AGK 1PO5 4I91 5VCE 1B5B 3S38 1MCY 1JIO 2NRM 1CI3 3TJS 3GCK 1DT6 4KCI 1CPD 3GC1 3BE0 4UGL 3FC5 5FYG 4ESL 5AOG 3CU4 5T6Q 3UHQ 1YJH 1XK2 3RQL 1YWD 4JM6 1W2L 4F6B 4D3V 1CMU 1DWT 1MNO 4KCQ 5IBH 4JM5 2HBG 4I4G 1SXY 4XMG 1UVY 4U9E 3PSX 4NVG 5AB8 5CPP 4TPO 1SWM 5UAP 5VV7 2ZBY 2HZ2 6HQS 2V7M 3M2G 4K9V 1ARP 1DXD 5JPR 2ZON 4JWU 4G71 5L1W 3N6F 6CH6 5JLC 4G05 5YSW 1LLP 3BXI 3ZJP 1MOA 5CN8 3CXX 2WV2 5CNG 5G6M 5DQN 2H7R 1LSW 2BHJ 1A6K 1W0E 1PHF 5A5I 1DS4 6OO6 2NX0 4JMV 5G6J 1LH7 1NZ2 1BEM 2H88 4YSX 1ECD 6BD8 2SPN 3HEO 3IR7 5HIW 4XV4 2MYB 6MYO 2R5L 5GLS 4H0B 6EYE 1ED5 5M0N 3ZBM 1SK7 5NVI 2ORO 1ARU 1BU7 4NS2 3R9C 4EGP 2UYD 2MBW 3OBD 6BWU 2EUP 4HPD 3GCL 5XXI 1ASH 1CSX 2IPS 4L21 1CCA 4GRC 1E08 2HKX 1HBG 5U6T 5M3R 4G99 1CTY 451C 5OXU 1QWC 2RC0 1IRV 4WQ0 5L1U 1N9X 3FM4 5KQN 2W6W 1YRD 2ZT2 1CH3 5WN8 3M3A 3TKT 4L49 2XBK 4UGD 5UTB 1YQ3 5K7K 1F65 5L1P 4C0N 4L1Y 1MBS 2LH3 3ZCG 3UA1 2ZUI 6DAA 1UBB 5NCB 2GDM 5E0E 4IPW 2Y8H 1F63 6JT1 3EDA 5UTD 2XKH 3M2A 1TES 3UBA 4HPA 1CCR 1CCI 5EYJ 3DAM 2FRF 2ZSP 3WXO 1DSE 5G6F 1MBI 2ANZ 6CPP 3ZG2 3ARJ 5M6K 5MFA 5OJA 1A4F 5ABQ 5VRT 4HHS 4YZR 4FIA 1GEB 1HRM 6OOA 5CN7 3B4X 3LXH 4K5K 5F2A 3P6O 6A15 4DXY 4A7M 3NV6 3PC2 5ESF 5CP4 5TL8 2QQT 4UGV 3A9M 2NQX 1PHB 1CQX 5A1R 3FWJ 2XJ6 5MJC 1Y21 4IQ7 6E04 4UGG 3S3C 1UX8 3E2N 4AVE 3AE1 5OJB 3AEA 2Z6T 4D3N 4G7L 1GW2 1GED 5CCP 4D3O 4G7Q 2C8S 2LH5 1QW6 6EL4 1CRJ 3CV9 1GEM 3QNS 3RGK 5VNU 3E4W 6L4F 2SPL 1H5E 3P6V 4RM4 5FYF 1DUO 3WVS 1A7V 3ED9 2CPO 3VXI 1AJG 3AG0 4KVK 4NVE 1B5A 5YCE 1DLY 6CVC 3QM5 3PH2 3FM1 3SDN 4L4C 1EHF 3ERI 6M8F 6O3I 4NZI 2QBN 1QMQ 6NH0 6MA7 1EMY 1S56 1M2I 1H5J 2H7Q 2ORT 4AM4 2BWH 1FLP 1MNH 2ORR 3E55 6L32 6DA5 1GEK 4ZF6 5W0C 6L5G 3VNW 1X8P 1Q1F 4UGO 2LH6 1ODO 1KV9 4FWX 1PHC 2VCN 1MLL 3N67 4CZR 1BEJ 4I3Q 6H6C 3DMI 1ES1 6PAS 2ZWU 3CY0 1A2F 5UFG 6MI0 2ZSO 1IKJ 2FAM 5TWT 1BJE 1COR 5CNC 3ABA 2XFH 2X07 2NSR 1DKH 1W4Y 4CZQ 2AN2 5EX9 4WCH 2AIU 1IRW 1MLM 3HEN 4D3T 1HCH 4CTU 5CNB 2ZSQ 3DBM 6JT0 4G44 1KOI 1QO4 5V5Z 5ESG 1DLW 2UUQ 4JPL 1DM1 2RBV 1YEB 5KZL 2Y5A 6DPR 2DKK 1YTC 1MNP 5HLX 1H5F 1CRY 1GWE 1YWC 1MBO 3HDL 4CZO 2VM0 2MGA 2W0A 3MN0 6A3K 5YZF 5O41 4FA7 5WK7 4ZE0
2FH	1S13
NTE	3OO4 3OO5 3VAU
VOV	6FXQ

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

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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).

Submission ID: VEA File name: alatis_output_compound.sdf

Citation:

Disclaimer:

Contact:

Submission ID: VEA
File name: alatis_output_compound.sdf