
PMC:7291971 / 45858-47111
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T942 | 60-65 | CHEBI:30756;CHEBI:30756 | denotes | -9-yl |
T943 | 66-92 | CHEBI:53233;CHEBI:53233 | denotes | -3,4-dihydroxyoxolan-2-yl] |
T944 | 92-98 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T945 | 115-136 | CHEBI:30756;CHEBI:30756 | denotes | 6-amino-9H-purin-9-yl |
T946 | 138-140 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T947 | 140-147 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T948 | 147-148 | CHEBI:17500;CHEBI:17500 | denotes | - |
T949 | 148-150 | CHEBI:34018;CHEBI:34018 | denotes | 5- |
T950 | 150-151 | CHEBI:17500;CHEBI:17500 | denotes | ( |
T951 | 151-164 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T952 | 165-171 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T953 | 172-173 | CHEBI:17500;CHEBI:17500 | denotes | 3 |
T954 | 177-180 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T955 | 181-186 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T956 | 187-192 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T957 | 193-202 | CHEBI:17968;CHEBI:17968 | denotes | butanoate |
T958 | 294-306 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T959 | 990-993 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T32226 | 60-65 | CHEBI:30756;CHEBI:30756 | denotes | -9-yl |
T22539 | 66-92 | CHEBI:53233;CHEBI:53233 | denotes | -3,4-dihydroxyoxolan-2-yl] |
T43743 | 92-98 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T65681 | 115-136 | CHEBI:30756;CHEBI:30756 | denotes | 6-amino-9H-purin-9-yl |
T74576 | 138-140 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T56336 | 140-147 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T63032 | 147-148 | CHEBI:17500;CHEBI:17500 | denotes | - |
T71636 | 148-150 | CHEBI:34018;CHEBI:34018 | denotes | 5- |
T12303 | 150-151 | CHEBI:17500;CHEBI:17500 | denotes | ( |
T91451 | 151-164 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T56103 | 165-171 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T94307 | 172-173 | CHEBI:17500;CHEBI:17500 | denotes | 3 |
T57389 | 177-180 | CHEBI:29354;CHEBI:29354 | denotes | oxy |
T45750 | 181-186 | CHEBI:37807;CHEBI:37807 | denotes | ethyl |
T71688 | 187-192 | CHEBI:46882;CHEBI:46882 | denotes | amino |
T33280 | 193-202 | CHEBI:17968;CHEBI:17968 | denotes | butanoate |
T22610 | 294-306 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T96226 | 990-993 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
812 | 294-306 | Chemical | denotes | acetonitrile | MESH:C032159 |
813 | 310-315 | Chemical | denotes | TEAAc | |
814 | 990-993 | Chemical | denotes | 13C | MESH:C000615229 |
815 | 1008-1011 | Chemical | denotes | D2O | |
816 | 1207-1218 | Chemical | denotes | C27H39N12O9 | |
817 | 1180-1184 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T313 | 231-233 | http://purl.obolibrary.org/obo/CLO_0050507 | denotes | 22 |
T314 | 267-268 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T315 | 363-365 | http://purl.obolibrary.org/obo/CLO_0001000 | denotes | 35 |
T316 | 384-385 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T317 | 1220-1223 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T840 | 22-27 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T841 | 44-65 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T842 | 46-51 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T843 | 92-98 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T845 | 115-136 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T846 | 117-122 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T847 | 140-147 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T848 | 151-164 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T849 | 177-180 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T850 | 181-186 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T852 | 187-192 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T853 | 193-202 | Chemical | denotes | butanoate | http://purl.obolibrary.org/obo/CHEBI_17968 |
T854 | 294-306 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T855 | 316-322 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T856 | 454-456 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T857 | 471-474 | Chemical | denotes | D2O | http://purl.obolibrary.org/obo/CHEBI_41981 |
T858 | 487-489 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T859 | 501-503 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T860 | 515-517 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T861 | 529-531 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T862 | 555-557 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T863 | 581-583 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T864 | 600-602 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T865 | 639-641 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T866 | 678-680 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T867 | 697-699 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T868 | 737-739 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T869 | 776-778 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T870 | 815-817 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T871 | 920-922 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T872 | 947-949 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T873 | 966-968 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T874 | 1008-1011 | Chemical | denotes | D2O | http://purl.obolibrary.org/obo/CHEBI_41981 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T335 | 0-206 | Sentence | denotes | 4.1.11 Methyl (2S)-2-amino-4-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}ethyl)amino)butanoate (3) |
T336 | 207-453 | Sentence | denotes | Following method C with 22 (140 mg, 0.12 mmol, 1.00 eq) and a 0–30% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 3 (28 mg, 35%) was obtained as a white powder with 98% purity determined by HPLC analysis at 260 nm. |
T337 | 454-989 | Sentence | denotes | 1H NMR (600 MHz, D2O) δ 8.08 (s, 1H), 8.05 (s, 1H), 7.98 (s, 1H), 7.84 (s, 1H), 5.89 (d, J = 2.5 Hz, 1H), 5.75 (d, J = 3.3 Hz, 1H), 4.55–4.50 (m, 1H), 4.47 (dd, J = 5.1 Hz, J = 2.3 Hz, 1H), 4.38 (dd, J = 5.0 Hz, J = 3.2 Hz, 1H), 4.36–4.30 (m, 1H), 4.26 (dd, J = 10.5 Hz, J = 2.8 Hz, 1H), 4.13 (dd, J = 7.9 Hz, J = 5.1 Hz, 1H), 4.07 (dt, J = 6.2 Hz, J = 3.1 Hz, 1H), 4.05–3.86 (m, 2H), 3.84 (s, 3H), 3.82–3.64 (m, 2H), 3.22–3.01 (m, 3H), 2.88 (dt, J = 13.7, J = 3.9, 1H), 2.78 (d, J = 13.9 Hz, 1H), 2.66–2.58 (m, 1H), 2.19–2.02 (m, 2H). |
T338 | 990-1179 | Sentence | denotes | 13C NMR (150 MHz, D2O) δ 170.6, 154.9 (2C), 152.5, 152.2, 147.7, 147.4, 139.1, 138.3, 118.5, 118.1, 89.1, 86.8, 84.6, 81.8, 79.6, 73.9, 70.9, 69.1, 60.2, 54.8, 54.1, 53.5, 53.3, 52.3, 25.0. |
T339 | 1180-1226 | Sentence | denotes | HRMS (ESI+): m/z calcd for C27H39N12O9 [M+H]+: |
T340 | 1227-1243 | Sentence | denotes | 675.2957, found: |
T341 | 1244-1253 | Sentence | denotes | 675.2944. |