PMC:7291971 / 58837-60006
Annnotations
LitCovid-PMC-OGER-BB
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T1177 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T1178 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T1179 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T1180 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T1181 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T1182 | 120-122 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T1183 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T1184 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T1185 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T1186 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T1187 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T1188 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T1189 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T1190 | 158-159 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T1191 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T1192 | 172-184 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T1193 | 184-187 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T1194 | 187-198 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T1195 | 286-298 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T1196 | 895-898 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
T79216 | 50-65 | CHEBI:50488;CHEBI:50488 | denotes | dihydroxyoxolan |
T85055 | 66-67 | CHEBI:53233;CHEBI:53233 | denotes | 2 |
T43977 | 68-71 | CHEBI:53233;CHEBI:53233 | denotes | yl] |
T33776 | 71-77 | CHEBI:29309;CHEBI:29309 | denotes | methyl |
T65828 | 108-118 | CHEBI:30756;CHEBI:30756 | denotes | purin-9-yl |
T82249 | 120-122 | CHEBI:34018;CHEBI:34018 | denotes | 4- |
T57163 | 122-129 | CHEBI:43176;CHEBI:43176 | denotes | hydroxy |
T86787 | 130-131 | CHEBI:34018;CHEBI:34018 | denotes | 5 |
T88206 | 133-146 | CHEBI:24712;CHEBI:24712 | denotes | hydroxymethyl |
T75477 | 147-153 | CHEBI:26911;CHEBI:26911 | denotes | oxolan |
T88093 | 153-154 | CHEBI:15533;CHEBI:15533 | denotes | - |
T95303 | 154-155 | CHEBI:53233;CHEBI:53233 | denotes | 3 |
T3186 | 155-158 | CHEBI:15533;CHEBI:15533 | denotes | -yl |
T92631 | 158-159 | CHEBI:53233;CHEBI:53233 | denotes | ] |
T16525 | 159-162 | CHEBI:15533;CHEBI:15533 | denotes | oxy |
T41900 | 172-184 | CHEBI:27798;CHEBI:27798 | denotes | nitrobenzene |
T40897 | 184-187 | CHEBI:86228;CHEBI:86228 | denotes | -1- |
T93891 | 187-198 | CHEBI:35358;CHEBI:35358 | denotes | sulfonamide |
T65427 | 286-298 | CHEBI:38472;CHEBI:38472 | denotes | acetonitrile |
T35276 | 895-898 | CHEBI:36927;CHEBI:36927 | denotes | 13C |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1021 | 286-298 | Chemical | denotes | acetonitrile | MESH:C032159 |
1022 | 302-307 | Chemical | denotes | TEAAc | |
1023 | 446-448 | Chemical | denotes | 1H | |
1024 | 463-469 | Chemical | denotes | DMSO‑d | |
1025 | 484-486 | Chemical | denotes | 1H | |
1026 | 498-500 | Chemical | denotes | 1H | |
1027 | 517-519 | Chemical | denotes | 2H | MESH:D003903 |
1028 | 531-533 | Chemical | denotes | 1H | |
1029 | 545-547 | Chemical | denotes | 1H | |
1030 | 564-566 | Chemical | denotes | 2H | MESH:D003903 |
1031 | 582-584 | Chemical | denotes | 2H | MESH:D003903 |
1032 | 895-898 | Chemical | denotes | 13C | MESH:C000615229 |
1033 | 913-921 | Chemical | denotes | DMSO‑d 6 | |
1034 | 1122-1135 | Chemical | denotes | C28H33N12O11S | |
1035 | 1095-1099 | Disease | denotes | HRMS |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T351 | 259-260 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T352 | 355-357 | http://purl.obolibrary.org/obo/CLO_0001302 | denotes | 34 |
T353 | 376-377 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T354 | 1137-1140 | http://purl.obolibrary.org/obo/CLO_0007706 | denotes | M+H |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T95728 | 23-44 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T231 | 25-30 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T88670 | 71-77 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T72865 | 97-118 | Chemical | denotes | 6-amino-9H-purin-9-yl | http://purl.obolibrary.org/obo/CHEBI_30756 |
T235 | 99-104 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T19593 | 122-129 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T73471 | 133-146 | Chemical | denotes | hydroxymethyl | http://purl.obolibrary.org/obo/CHEBI_24712 |
T55405 | 159-162 | Chemical | denotes | oxy | http://purl.obolibrary.org/obo/CHEBI_29354 |
T78555 | 163-168 | Chemical | denotes | ethyl | http://purl.obolibrary.org/obo/CHEBI_37807|http://purl.obolibrary.org/obo/CHEBI_62801 |
T241 | 172-184 | Chemical | denotes | nitrobenzene | http://purl.obolibrary.org/obo/CHEBI_27798 |
T19924 | 187-198 | Chemical | denotes | sulfonamide | http://purl.obolibrary.org/obo/CHEBI_35358 |
T243 | 286-298 | Chemical | denotes | acetonitrile | http://purl.obolibrary.org/obo/CHEBI_38472 |
T56015 | 308-314 | Chemical | denotes | buffer | http://purl.obolibrary.org/obo/CHEBI_35225 |
T72768 | 446-448 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T91178 | 463-467 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
T96978 | 484-486 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T74178 | 498-500 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T87762 | 531-533 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T73030 | 545-547 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T72407 | 626-628 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T22886 | 652-654 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T40680 | 697-699 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T254 | 723-725 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T66835 | 742-744 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T28203 | 768-770 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T98164 | 807-809 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T69540 | 833-835 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T259 | 871-873 | Chemical | denotes | 1H | http://purl.obolibrary.org/obo/CHEBI_49637 |
T63532 | 913-917 | Chemical | denotes | DMSO | http://purl.obolibrary.org/obo/CHEBI_28262 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T409 | 0-202 | Sentence | denotes | 4.1.21 N-{[(2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-N-(2-{[(2R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}ethyl)-4-nitrobenzene-1-sulfonamide (9) |
T410 | 203-445 | Sentence | denotes | Using method C with 19 (100 mg, 97.4 μmol, 1.00 eq) and a 0–40% linear gradient of acetonitrile in TEAAc buffer 50 mM, pH 7 for purification, 9 (25 mg, 34%) was obtained as a white powder with 99% purity determined by HPLC analysis at 260 nm. |
T411 | 446-894 | Sentence | denotes | 1H NMR (600 MHz, DMSO‑d 6) δ 8.32 (s, 1H), 8.29 (s, 1H), 8.22–8.18 (m, 2H), 8.14 (s, 1H), 8.13 (s, 1H), 7.96–7.91 (m, 2H), 7.32 (br. s, 2H), 7.26 (br. s, 2H), 5.89 (d, J = 5.4 Hz, 1H), 5.79 (d, J = 5.6 Hz, 1H), 5.73–5.20 (m, 4H), 4.70 (t, J = 5.4 Hz, 1H), 4.34 (t, J = 5.1 Hz, 1H), 4.30–4.26 (m, 1H), 4.15 (t, J = 4.6 Hz, 1H), 4.09 (dt, J = 8.5 Hz, J = 4.3 Hz, 1H), 3.89 (q, J = 3.6 Hz, 1H), 3.75–3.70 (m, 2H), 3.66–3.63 (m, 1H), 3.60–3.29 (m, 5H). |
T412 | 895-1094 | Sentence | denotes | 13C NMR (150 MHz, DMSO‑d 6) δ 156.2, 156.2, 152.8, 152.7, 149.6, 149.3, 149.0, 145.0, 140.2, 139.6, 128.5, 124.3, 119.3, 119.3, 87.9, 86.3, 86.0, 82.9, 81.6, 72.5, 71.4, 70.0, 68.2, 61.2, 50.4, 47.5. |
T413 | 1095-1143 | Sentence | denotes | HRMS (ESI+): m/z calcd for C28H33N12O11S [M+H]+: |
T414 | 1144-1169 | Sentence | denotes | 745.2112, Found 745.2104. |