![9NQ 9NQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9NQ.svg) | 9NQ | Name: | Leniolisib | Formula: | C21 H25 F3 N6 O2 | SMILES: | CCC(=O)N1CC[CH](C1)Nc2ncnc3CCN(Cc23)c4cnc(OC)c(c4)C(F)(F)F | InChi: | InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1 | Definition date: | 2017-06-12 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 1-[(3~{S})-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one |
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![CGG CGG](https://data.pdbj.org/pdbjplus/data/cc/svg/CGG.svg) | CGG | Name: | Chlorogenic acid | Formula: | C16 H18 O9 | SMILES: | O[CH]1C[C](O)(C[CH](OC(=O)C=Cc2ccc(O)c(O)c2)[CH]1O)C(O)=O | InChi: | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12+,14-,16-/m0/s1 | Definition date: | 2016-11-11 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (1~{S},3~{R},4~{S},5~{S})-3-[(~{E})-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid |
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![8RO 8RO](https://data.pdbj.org/pdbjplus/data/cc/svg/8RO.svg) | 8RO | Name: | [(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite | Formula: | C10 H15 N2 O6 P S | SMILES: | CC1=C2SN2C(=O)N(C1)[CH]3C[CH](O)[CH](COP(O)O)O3 | InChi: | InChI=1S/C10H15N2O6PS/c1-5-3-11(10(14)12-9(5)20-12)8-2-6(13)7(18-8)4-17-19(15)16/h6-8,13,15-16H,2-4H2,1H3/t6-,7+,8+,12?/m0/s1 | Definition date: | 2017-09-01 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | [(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
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![9B5 9B5](https://data.pdbj.org/pdbjplus/data/cc/svg/9B5.svg) | 9B5 | Name: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C21 H26 N4 O4 S | SMILES: | C[CH](NC(C)=O)C(=O)N1C[CH](O)C[CH]1C(=O)NCc2ccc(cc2)c3scnc3C | InChi: | InChI=1S/C21H26N4O4S/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(28)18-8-17(27)10-25(18)21(29)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,28)(H,24,26)/t13-,17+,18-/m0/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9B8 9B8](https://data.pdbj.org/pdbjplus/data/cc/svg/9B8.svg) | 9B8 | Name: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C26 H34 N4 O5 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4COC4)C(C)(C)C)cc2 | InChi: | InChI=1S/C26H34N4O5S/c1-15-21(36-14-28-15)17-7-5-16(6-8-17)10-27-24(33)20-9-19(31)11-30(20)25(34)22(26(2,3)4)29-23(32)18-12-35-13-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9BH 9BH](https://data.pdbj.org/pdbjplus/data/cc/svg/9BH.svg) | 9BH | Name: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C27 H36 N4 O4 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4CCC4)C(C)(C)C)cc2 | InChi: | InChI=1S/C27H36N4O4S/c1-16-22(36-15-29-16)18-10-8-17(9-11-18)13-28-25(34)21-12-20(32)14-31(21)26(35)23(27(2,3)4)30-24(33)19-6-5-7-19/h8-11,15,19-21,23,32H,5-7,12-14H2,1-4H3,(H,28,34)(H,30,33)/t20-,21+,23-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9BK 9BK](https://data.pdbj.org/pdbjplus/data/cc/svg/9BK.svg) | 9BK | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C28 H37 N5 O5 S | SMILES: | CC(=O)NC1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C | InChi: | InChI=1S/C28H37N5O5S/c1-16-22(39-15-30-16)19-8-6-18(7-9-19)13-29-24(36)21-12-20(35)14-33(21)25(37)23(27(3,4)5)31-26(38)28(10-11-28)32-17(2)34/h6-9,15,20-21,23,35H,10-14H2,1-5H3,(H,29,36)(H,31,38)(H,32,34)/t20-,21+,23-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-acetamidocyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9BN 9BN](https://data.pdbj.org/pdbjplus/data/cc/svg/9BN.svg) | 9BN | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C28 H36 N4 O5 S | SMILES: | CC(=O)C1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4scnc4C)C(C)(C)C | InChi: | InChI=1S/C28H36N4O5S/c1-16-22(38-15-30-16)19-8-6-18(7-9-19)13-29-24(35)21-12-20(34)14-32(21)25(36)23(27(3,4)5)31-26(37)28(10-11-28)17(2)33/h6-9,15,20-21,23,34H,10-14H2,1-5H3,(H,29,35)(H,31,37)/t20-,21+,23-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-ethanoylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9BT 9BT](https://data.pdbj.org/pdbjplus/data/cc/svg/9BT.svg) | 9BT | Name: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C24 H32 N4 O5 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)CO)C(C)(C)C)cc2 | InChi: | InChI=1S/C24H32N4O5S/c1-14-20(34-13-26-14)16-7-5-15(6-8-16)10-25-22(32)18-9-17(30)11-28(18)23(33)21(24(2,3)4)27-19(31)12-29/h5-8,13,17-18,21,29-30H,9-12H2,1-4H3,(H,25,32)(H,27,31)/t17-,18+,21-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(2-oxidanylethanoylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![9BW 9BW](https://data.pdbj.org/pdbjplus/data/cc/svg/9BW.svg) | 9BW | Name: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C26 H34 N4 O4 S | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4CC4)C(C)(C)C)cc2 | InChi: | InChI=1S/C26H34N4O4S/c1-15-21(35-14-28-15)17-7-5-16(6-8-17)12-27-24(33)20-11-19(31)13-30(20)25(34)22(26(2,3)4)29-23(32)18-9-10-18/h5-8,14,18-20,22,31H,9-13H2,1-4H3,(H,27,33)(H,29,32)/t19-,20+,22-/m1/s1 | Definition date: | 2017-05-05 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclopropylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![LHB LHB](https://data.pdbj.org/pdbjplus/data/cc/svg/LHB.svg) | LHB | Name: | 5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one | Formula: | C17 H23 N9 O5 | SMILES: | COCN1C=C(CNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N | InChi: | InChI=1S/C17H23N9O5/c1-30-7-25-4-8(13(18)24-17(25)29)2-20-3-9-11(27)12(28)16(31-9)26-6-23-10-14(19)21-5-22-15(10)26/h4-6,9,11-12,16,20,27-28H,2-3,7H2,1H3,(H2,18,24,29)(H2,19,21,22)/t9-,11-,12-,16-/m1/s1 | Definition date: | 2016-09-13 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one |
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![LHD LHD](https://data.pdbj.org/pdbjplus/data/cc/svg/LHD.svg) | LHD | Name: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium | Formula: | C18 H26 N9 O5 | SMILES: | COCN1C=C(C[NH2+]CC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N | InChi: | InChI=1S/C18H25N9O5/c1-31-8-26-5-9(14(19)25-18(26)30)4-21-3-2-10-12(28)13(29)17(32-10)27-7-24-11-15(20)22-6-23-16(11)27/h5-7,10,12-13,17,21,28-29H,2-4,8H2,1H3,(H2,19,25,30)(H2,20,22,23)/p+1/t10-,12-,13-,17-/m1/s1 | Definition date: | 2016-09-14 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium |
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![LHF LHF](https://data.pdbj.org/pdbjplus/data/cc/svg/LHF.svg) | LHF | Name: | 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one | Formula: | C24 H28 Br N9 O5 | SMILES: | NC1=NC(=O)N(CCOc2ccc(Br)cc2)C=C1CNCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45 | InChi: | InChI=1S/C24H28BrN9O5/c25-14-1-3-15(4-2-14)38-8-7-33-10-13(20(26)32-24(33)37)9-28-6-5-16-18(35)19(36)23(39-16)34-12-31-17-21(27)29-11-30-22(17)34/h1-4,10-12,16,18-19,23,28,35-36H,5-9H2,(H2,26,32,37)(H2,27,29,30)/t16-,18-,19-,23-/m1/s1 | Definition date: | 2016-09-13 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one |
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![4YY 4YY](https://data.pdbj.org/pdbjplus/data/cc/svg/4YY.svg) | 4YY | Name: | N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide | Formula: | C26 H33 F N4 O4 S | SMILES: | C1CC1(F)C(=O)NC(C(C)(C)C)C(=O)N2CC(O)CC2C(=O)NCc3ccc(cc3)c4scnc4C | InChi: | InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1 | Definition date: | 2015-06-29 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide |
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![78G 78G](https://data.pdbj.org/pdbjplus/data/cc/svg/78G.svg) | 78G | Name: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium | Formula: | C22 H33 N10 O7 | SMILES: | COCN1C=C(C[NH+](CC[CH](N)C(O)=O)CC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N | InChi: | InChI=1S/C22H32N10O7/c1-38-10-31-7-11(17(24)29-22(31)37)6-30(4-2-12(23)21(35)36)5-3-13-15(33)16(34)20(39-13)32-9-28-14-18(25)26-8-27-19(14)32/h7-9,12-13,15-16,20,33-34H,2-6,10,23H2,1H3,(H,35,36)(H2,24,29,37)(H2,25,26,27)/p+1/t12-,13+,15+,16+,20+/m0/s1 | Definition date: | 2016-09-12 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium |
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![78K 78K](https://data.pdbj.org/pdbjplus/data/cc/svg/78K.svg) | 78K | Name: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid | Formula: | C21 H30 N10 O7 | SMILES: | COCN1C=C(CN(CC[CH](N)C(O)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(=NC1=O)N | InChi: | InChI=1S/C21H30N10O7/c1-37-9-30-5-10(16(23)28-21(30)36)4-29(3-2-11(22)20(34)35)6-12-14(32)15(33)19(38-12)31-8-27-13-17(24)25-7-26-18(13)31/h5,7-8,11-12,14-15,19,32-33H,2-4,6,9,22H2,1H3,(H,34,35)(H2,23,28,36)(H2,24,25,26)/t11-,12-,14-,15-,19-/m1/s1 | Definition date: | 2016-09-12 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid |
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![78S 78S](https://data.pdbj.org/pdbjplus/data/cc/svg/78S.svg) | 78S | Name: | (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid | Formula: | C20 H35 O7 P | SMILES: | CO[P](=O)(OC)OC[CH](OCC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O | InChi: | InChI=1S/C20H35O7P/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-26-19(20(21)22)15-27-28(23,24-5)25-6/h9,11,13,19H,7-8,10,12,14-15H2,1-6H3,(H,21,22)/b17-11+,18-13-/t19-/m1/s1 | Definition date: | 2016-09-23 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid |
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![78V 78V](https://data.pdbj.org/pdbjplus/data/cc/svg/78V.svg) | 78V | Name: | 4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one | Formula: | C18 H25 N9 O5 | SMILES: | COCN1C=CC(=NC1=O)NCCNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34 | InChi: | InChI=1S/C18H25N9O5/c1-31-9-26-5-2-11(25-18(26)30)21-4-3-20-6-10-13(28)14(29)17(32-10)27-8-24-12-15(19)22-7-23-16(12)27/h2,5,7-8,10,13-14,17,20,28-29H,3-4,6,9H2,1H3,(H2,19,22,23)(H,21,25,30)/t10-,13-,14-,17-/m1/s1 | Definition date: | 2016-09-14 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | 4-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]ethylamino]-1-(methoxymethyl)pyrimidin-2-one |
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![7AO 7AO](https://data.pdbj.org/pdbjplus/data/cc/svg/7AO.svg) | 7AO | Name: | [(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate | Formula: | C43 H65 N5 O9 | SMILES: | C[CH](CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)[CH](C)[CH](O)[CH]1C)[CH](O)[CH](C)[CH](OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])[CH](C)C=CC=C | InChi: | InChI=1S/C43H65N5O9/c1-10-11-14-27(4)40(57-43(55)46-20-13-19-45-41(53)33-15-12-16-34(23-33)47-48-44)31(8)38(51)29(6)22-25(2)21-28(5)37(50)26(3)17-18-35(49)24-36-30(7)39(52)32(9)42(54)56-36/h10-12,14-18,21,23,26-32,35-40,49-52H,1,13,19-20,22,24H2,2-9H3,(H,45,53)(H,46,55)/b14-11-,18-17-,25-21-/t26-,27-,28-,29-,30-,31-,32+,35+,36-,37-,38+,39-,40-/m0/s1 | Definition date: | 2016-09-23 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | [(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-19-[(2~{S},3~{R},4~{S},5~{R})-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] ~{N}-[3-[(3-azidophenyl)carbonylamino]propyl]carbamate |
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![7B5 7B5](https://data.pdbj.org/pdbjplus/data/cc/svg/7B5.svg) | 7B5 | Name: | methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate | Formula: | C21 H37 O7 P | SMILES: | COC(=O)[CH](CO[P](=O)(OC)OC)OCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C21H37O7P/c1-17(2)10-8-11-18(3)12-9-13-19(4)14-15-27-20(21(22)24-5)16-28-29(23,25-6)26-7/h10,12,14,20H,8-9,11,13,15-16H2,1-7H3/b18-12+,19-14-/t20-/m1/s1 | Definition date: | 2016-09-28 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | methyl (2~{R})-3-dimethoxyphosphoryloxy-2-[(2~{Z},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate |
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![7L3 7L3](https://data.pdbj.org/pdbjplus/data/cc/svg/7L3.svg) | 7L3 | Name: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | Formula: | C13 H18 N4 O4 S3 | SMILES: | CC(C)(c1ccc(cc1)S(=O)(=O)N=C2/SC(S(=O)(N)=O)=NN2C)C | InChi: | InChI=1S/C13H18N4O4S3/c1-13(2,3)9-5-7-10(8-6-9)24(20,21)16-11-17(4)15-12(22-11)23(14,18)19/h5-8H,1-4H3,(H2,14,18,19)/b16-11- | Definition date: | 2016-11-08 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide |
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![7LM 7LM](https://data.pdbj.org/pdbjplus/data/cc/svg/7LM.svg) | 7LM | Name: | N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide | Formula: | C36 H63 N O9 | SMILES: | C1(OC(C(O)C(C1O)O)OCC(NC(CCCCCCC)=O)C(O)C(O)CCCCCCCCCCCCc2ccccc2)CO | InChi: | InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1 | Definition date: | 2016-11-14 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide |
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![7LP 7LP](https://data.pdbj.org/pdbjplus/data/cc/svg/7LP.svg) | 7LP | Name: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide | Formula: | C34 H58 N2 O10 | SMILES: | C(CCCCC)CC(=O)NC(COC1OC(C(O)C(O)C1O)CO)C(C(CCCC(=O)NCCCCCCc2ccccc2)O)O | InChi: | InChI=1S/C34H58N2O10/c1-2-3-4-5-12-19-29(40)36-25(23-45-34-33(44)32(43)31(42)27(22-37)46-34)30(41)26(38)18-14-20-28(39)35-21-13-7-6-9-15-24-16-10-8-11-17-24/h8,10-11,16-17,25-27,30-34,37-38,41-44H,2-7,9,12-15,18-23H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,30-,31-,32-,33+,34-/m0/s1 | Definition date: | 2016-11-14 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
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![7LZ 7LZ](https://data.pdbj.org/pdbjplus/data/cc/svg/7LZ.svg) | 7LZ | Name: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one | Formula: | C32 H52 O6 | SMILES: | C[CH]1CC[CH](O)[CH](C)[CH](OC(=O)C=CC=C[CH](C)[CH](O)C[CH](O)C=C[CH](C)[CH](O)[CH](C)C1)[CH](C)C=CC=C | InChi: | InChI=1S/C32H52O6/c1-8-9-12-24(5)32-26(7)28(34)18-15-21(2)19-25(6)31(37)23(4)16-17-27(33)20-29(35)22(3)13-10-11-14-30(36)38-32/h8-14,16-17,21-29,31-35,37H,1,15,18-20H2,2-7H3/b12-9-,13-10+,14-11-,17-16-/t21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32-/m0/s1 | Definition date: | 2016-11-18 | Last modified: | 2017-09-15 | Release date: | 2017-09-20 | Identifier: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one |
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![4EX 4EX](https://data.pdbj.org/pdbjplus/data/cc/svg/4EX.svg) | 4EX | Name: | (3~{a}~{S},6~{S},6~{a}~{R})-3~{a}-methyl-2,2-bis(oxidanyl)-6,6~{a}-dihydro-5~{H}-furo[2,3-d][1,3,2]dioxaborol-6-ol | Formula: | C5 H10 B O6 | SMILES: | C[C]12OC[CH](O)[CH]1O[B](O)(O)O2 | InChi: | InChI=1S/C5H10BO6/c1-5-4(3(7)2-10-5)11-6(8,9)12-5/h3-4,7-9H,2H2,1H3/t3-,4+,5+/m0/s1 | Definition date: | 2015-03-13 | Last modified: | 2017-09-11 | Release date: | 2016-03-23 | Identifier: | (3aS,6S,6aR)-3a-methyl-2,2-bis(oxidanyl)-6,6a-dihydro-5H-furo[2,3-d][1,3,2]dioxaborol-6-ol |
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