![OD3 OD3](https://data.pdbj.org/pdbjplus/data/cc/svg/OD3.svg) | OD3 | Name: | 1,3-thiazolidine-2,4-dione | Formula: | C3 H3 N O2 S | SMILES: | O=C1CSC(=O)N1 | InChi: | InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) | Synonyms: | 2,4-Thiazolidinedione | Definition date: | 2023-01-31 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 1,3-thiazolidine-2,4-dione |
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![ODF ODF](https://data.pdbj.org/pdbjplus/data/cc/svg/ODF.svg) | ODF | Name: | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione | Formula: | C4 H4 N2 O3 | SMILES: | OC1=CNC(=O)NC1=O | InChi: | InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9) | Synonyms: | 5-Hydroxy-2,4(1H,3H)-pyrimidinedion | Definition date: | 2023-01-31 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione |
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![OG6 OG6](https://data.pdbj.org/pdbjplus/data/cc/svg/OG6.svg) | OG6 | Name: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione | Formula: | C5 H6 N2 O4 | SMILES: | OC(O)C1=CC(=O)NC(=O)N1 | InChi: | InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11) | Synonyms: | 6-Formyl-uracil hydrate | Definition date: | 2023-02-01 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione |
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![OIT OIT](https://data.pdbj.org/pdbjplus/data/cc/svg/OIT.svg) | OIT | Name: | ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | Formula: | C20 H21 Cl2 N3 O2 | SMILES: | NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 | InChi: | InChI=1S/C20H21Cl2N3O2/c21-15-9-14(10-16(22)12-15)20-25-17-6-5-13(11-18(17)27-20)19(26)24-8-4-2-1-3-7-23/h5-6,9-12H,1-4,7-8,23H2,(H,24,26) | Synonyms: | Tafamidis derivative | Definition date: | 2022-09-08 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide |
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![OJF OJF](https://data.pdbj.org/pdbjplus/data/cc/svg/OJF.svg) | OJF | Name: | [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate | Formula: | C73 H131 N7 O12 S | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O | InChi: | InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1 | Definition date: | 2022-09-09 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate |
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![7WT 7WT](https://data.pdbj.org/pdbjplus/data/cc/svg/7WT.svg) | 7WT | Name: | Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid | Formula: | C23 H34 O5 | SMILES: | O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2 | InChi: | InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1 | Synonyms: | 7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid | Definition date: | 2023-03-13 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid |
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![PQI PQI](https://data.pdbj.org/pdbjplus/data/cc/svg/PQI.svg) | PQI | Name: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | Formula: | C23 H25 Cl N4 O2 | SMILES: | CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45 | InChi: | InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1 | Definition date: | 2022-10-04 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
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![PUO PUO](https://data.pdbj.org/pdbjplus/data/cc/svg/PUO.svg) | PUO | Name: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | Formula: | C24 H24 Cl F N2 O3 | SMILES: | CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl | InChi: | InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1 | Definition date: | 2022-10-04 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
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![LFU LFU](https://data.pdbj.org/pdbjplus/data/cc/svg/LFU.svg) | LFU | Name: | ~{N}-(3-azanylpropyl)ethanamide | Formula: | C5 H12 N2 O | SMILES: | CC(=O)NCCCN | InChi: | InChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8) | Definition date: | 2022-07-05 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | ~{N}-(3-azanylpropyl)ethanamide |
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![SWC SWC](https://data.pdbj.org/pdbjplus/data/cc/svg/SWC.svg) | SWC | Name: | N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide | Formula: | C20 H33 F N3 O10 P S | SMILES: | OS(F)(O)c1ccc(CCNC(=O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)cc1 | InChi: | InChI=1S/C20H33FN3O10PS/c1-20(2,13-34-35(29,30)31)18(27)19(28)24-12-9-17(26)23-11-8-16(25)22-10-7-14-3-5-15(6-4-14)36(21,32)33/h3-6,18,27,32-33H,7-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H2,29,30,31)/t18-/m0/s1 | Definition date: | 2022-07-12 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide |
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![UJI UJI](https://data.pdbj.org/pdbjplus/data/cc/svg/UJI.svg) | UJI | Name: | tetrakis(oxidanyl)antimony | Formula: | H4 O4 Sb | SMILES: | O[Sb](O)(O)O | InChi: | InChI=1S/4H2O.Sb.H/h4*1H2 | Synonyms: | antimony oxyanion | Definition date: | 2023-02-06 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | tetrakis(oxidanyl)antimony |
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![O7O O7O](https://data.pdbj.org/pdbjplus/data/cc/svg/O7O.svg) | O7O | Name: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid | Formula: | C16 H16 Cl N3 O2 S | SMILES: | OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1 | InChi: | InChI=1S/C16H16ClN3O2S/c17-13-8-14(20-16(19-13)23-9-15(21)22)18-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H,21,22)(H,18,19,20) | Definition date: | 2022-08-30 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid |
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![JN0 JN0](https://data.pdbj.org/pdbjplus/data/cc/svg/JN0.svg) | JN0 | Name: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | Formula: | C20 H18 O6 | SMILES: | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | Synonyms: | Glycyrrhisoflavone | Definition date: | 2022-08-23 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
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![VUO VUO](https://data.pdbj.org/pdbjplus/data/cc/svg/VUO.svg) | VUO | Name: | 6-oxidanyl-1,3-benzoxathiol-2-one | Formula: | C7 H4 O3 S | SMILES: | Oc1ccc2SC(=O)Oc2c1 | InChi: | InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H | Definition date: | 2023-04-05 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 6-oxidanyl-1,3-benzoxathiol-2-one |
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![W0U W0U](https://data.pdbj.org/pdbjplus/data/cc/svg/W0U.svg) | W0U | Name: | [(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid | Formula: | C14 H22 N7 O7 P | SMILES: | C[CH](O)[CH](N)C(=O)N[P](O)(=O)OC[CH]1C[CH](O)[CH](O1)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C14H22N7O7P/c1-6(22)9(15)13(24)20-29(25,26)27-3-7-2-8(23)14(28-7)21-5-19-10-11(16)17-4-18-12(10)21/h4-9,14,22-23H,2-3,15H2,1H3,(H2,16,17,18)(H2,20,24,25,26)/t6-,7-,8-,9-,14+/m0/s1 | Definition date: | 2023-04-24 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | [(2~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-~{N}-[(2~{S},3~{S})-2-azanyl-3-oxidanyl-butanoyl]phosphonamidic acid |
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![S2F S2F](https://data.pdbj.org/pdbjplus/data/cc/svg/S2F.svg) | S2F | Name: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid | Formula: | C22 H28 F2 O5 | SMILES: | O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O | InChi: | InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1 | Synonyms: | Tafluprost acid | Definition date: | 2023-04-08 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid |
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![W2L W2L](https://data.pdbj.org/pdbjplus/data/cc/svg/W2L.svg) | W2L | Name: | (4~{S},6~{S})-4,6-dimethyloctanoic acid | Formula: | C10 H20 O2 | SMILES: | CC[CH](C)C[CH](C)CCC(O)=O | InChi: | InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1 | Definition date: | 2022-07-05 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | (4~{S},6~{S})-4,6-dimethyloctanoic acid |
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![UU0 UU0](https://data.pdbj.org/pdbjplus/data/cc/svg/UU0.svg) | UU0 | Name: | 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate | Formula: | C24 H32 O6 | SMILES: | C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O | InChi: | InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1 | Definition date: | 2023-06-22 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 |
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![WYH WYH](https://data.pdbj.org/pdbjplus/data/cc/svg/WYH.svg) | WYH | Name: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | Formula: | C11 H12 N2 | SMILES: | C1Cc2c(CN1)[nH]c3ccccc23 | InChi: | InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2 | Definition date: | 2022-07-05 | Last modified: | 2023-07-07 | Release date: | 2023-07-12 | Identifier: | 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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![XGG XGG](https://data.pdbj.org/pdbjplus/data/cc/svg/XGG.svg) | XGG | Name: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid | Formula: | C21 H20 N2 O3 S | SMILES: | CCC1(CC1)COc1ccc(cn1)c1csc(n1)c1ccccc1C(=O)O | InChi: | InChI=1S/C21H20N2O3S/c1-2-21(9-10-21)13-26-18-8-7-14(11-22-18)17-12-27-19(23-17)15-5-3-4-6-16(15)20(24)25/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,25) | Definition date: | 2022-11-15 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid |
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![XGT XGT](https://data.pdbj.org/pdbjplus/data/cc/svg/XGT.svg) | XGT | Name: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid | Formula: | C17 H13 N O2 S | SMILES: | O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1 | InChi: | InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20) | Definition date: | 2022-11-16 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic acid |
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![ZK8 ZK8](https://data.pdbj.org/pdbjplus/data/cc/svg/ZK8.svg) | ZK8 | Name: | hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid | Formula: | C16 H21 N2 O4 P | SMILES: | CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O | InChi: | InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21) | Definition date: | 2023-06-27 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid |
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![YJ0 YJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/YJ0.svg) | YJ0 | Name: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | Formula: | C56 H92 O25 | SMILES: | OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC1CO)OCC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)CCOC1CC2=CCC3C(CCC4(C)C5C(CC34)OC3(CCC(C)CO3)C5C)C2(C)CC1 | InChi: | InChI=1S/C56H92O25/c1-24-7-13-56(74-21-24)25(2)37-32(81-56)16-31-29-6-5-27-15-28(8-11-54(27,3)30(29)9-12-55(31,37)4)71-14-10-26(22-72-50-46(69)42(65)48(35(19-59)77-50)79-52-44(67)40(63)38(61)33(17-57)75-52)23-73-51-47(70)43(66)49(36(20-60)78-51)80-53-45(68)41(64)39(62)34(18-58)76-53/h5,24-26,28-53,57-70H,6-23H2,1-4H3/t24-,25+,26-,28+,29-,30+,31+,32+,33?,34-,35-,36-,37+,38?,39-,40?,41+,42-,43-,44?,45-,46-,47-,48-,49-,50-,51-,52?,53-,54+,55+,56-/m1/s1 | Definition date: | 2023-06-19 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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![ZNT ZNT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNT.svg) | ZNT | Name: | 2'3'-cUA | Formula: | C19 H23 N7 O14 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)N1C=CC(=O)NC1=O | InChi: | InChI=1S/C19H23N7O14P2/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(29)13-8(38-17)4-36-42(33,34)40-14-11(28)7(3-35-41(31,32)39-13)37-18(14)25-2-1-9(27)24-19(25)30/h1-2,5-8,11-14,17-18,28-29H,3-4H2,(H,31,32)(H,33,34)(H2,20,21,22)(H,24,27,30)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 | Synonyms: | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione | Definition date: | 2023-03-17 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | 1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione |
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![ZAI ZAI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZAI.svg) | ZAI | Name: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid | Formula: | C17 H29 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O | InChi: | InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1 | Definition date: | 2022-07-05 | Last modified: | 2023-06-30 | Release date: | 2023-07-05 | Identifier: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid |
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