![YWM YWM](https://data.pdbj.org/pdbjplus/data/cc/svg/YWM.svg) | YWM | Name: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate |
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![V8H V8H](https://data.pdbj.org/pdbjplus/data/cc/svg/V8H.svg) | V8H | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C16 H26 N2 O15 P2 | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O | InChi: | InChI=1S/C16H26N2O15P2/c17-14(23)7-2-1-3-18(4-7)15-12(21)10(19)8(31-15)5-29-34(25,26)33-35(27,28)30-6-9-11(20)13(22)16(24)32-9/h1,3-4,8-13,15-16,19-22,24H,2,5-6H2,(H2,17,23)(H,25,26)(H,27,28)/t8-,9-,10-,11-,12-,13-,15-,16-/m1/s1 | Definition date: | 2021-04-28 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![YWP YWP](https://data.pdbj.org/pdbjplus/data/cc/svg/YWP.svg) | YWP | Name: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | Formula: | C34 H51 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29+,30+,31-,32+,33-/m1/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate |
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![YWS YWS](https://data.pdbj.org/pdbjplus/data/cc/svg/YWS.svg) | YWS | Name: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | Formula: | C35 H53 N2 O12 P S | SMILES: | CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12 | InChi: | InChI=1S/C35H53N2O12PS/c1-6-24(4)20-37(51(42,43)29-15-11-27(12-16-29)25(5)38)21-32(39)31(36-35(40)49-33-22-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-23-50(41,47-7-2)48-8-3/h9-16,24-25,30-34,38-39H,6-8,17-23H2,1-5H3,(H,36,40)/t24-,25-,30-,31-,32+,33-,34+/m0/s1 | Definition date: | 2021-04-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate |
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![ZM1 ZM1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM1.svg) | ZM1 | Name: | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose | Formula: | C8 H16 N O8 P | SMILES: | O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O | InChi: | InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1 | Definition date: | 2021-05-06 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose |
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![RLK RLK](https://data.pdbj.org/pdbjplus/data/cc/svg/RLK.svg) | RLK | Name: | 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide | Formula: | C19 H27 Br N6 O4 S | SMILES: | CN(C)CCC[S](=O)(=O)N1CCN(CC1)c2ccc(Br)c(NC(=O)c3coc(N)n3)c2 | InChi: | InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27) | Definition date: | 2020-10-06 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide |
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![RMK RMK](https://data.pdbj.org/pdbjplus/data/cc/svg/RMK.svg) | RMK | Name: | ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | Formula: | C27 H34 N6 O2 | SMILES: | CC(C)n1nccc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C | InChi: | InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1 | Definition date: | 2020-10-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide |
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![RMQ RMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/RMQ.svg) | RMQ | Name: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid | Formula: | C41 H50 Cl F2 N5 O9 | SMILES: | CC(C)[CH](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)N[CH](CC(O)=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2Cl)NC(=O)C(F)(F)c3ccccc3)cc1 | InChi: | InChI=1S/C41H50ClF2N5O9/c1-25(2)35(49-33(50)24-57-20-19-45-39(56)58-40(3,4)5)37(54)47-30(23-34(51)52)21-26-15-17-29(18-16-26)46-36(53)32(22-27-11-9-10-14-31(27)42)48-38(55)41(43,44)28-12-7-6-8-13-28/h6-18,25,30,32,35H,19-24H2,1-5H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,50)(H,51,52)/t30-,32+,35+/m1/s1 | Definition date: | 2020-10-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid |
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![85R 85R](https://data.pdbj.org/pdbjplus/data/cc/svg/85R.svg) | 85R | Name: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate | Formula: | C41 H79 O13 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1 | Definition date: | 2022-03-02 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate |
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![ECI ECI](https://data.pdbj.org/pdbjplus/data/cc/svg/ECI.svg) | ECI | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid | Formula: | C20 H26 N10 O12 P2 S2 | SMILES: | NC1=Nc2c(ncn2C2OC(CO)C(OP(=O)(S)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)S)C2O)C(=O)N1 | InChi: | InChI=1S/C20H26N10O12P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)13(41-43(35,36)45)7(40-18)2-38-44(37,46)42-12-6(1-31)39-19(10(12)32)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,37,46)(H2,21,23,24)(H2,35,36,45)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-,44+/m1/s1 | Definition date: | 2021-12-06 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | O-[(2R,3S,4R,5R)-2-({[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name) |
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![8QY 8QY](https://data.pdbj.org/pdbjplus/data/cc/svg/8QY.svg) | 8QY | Name: | N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea | Formula: | C19 H27 N3 O2 S | SMILES: | Oc1ccc(cc1)CC(CNC(=O)NC(C)Cc1ccsc1)N(C)C | InChi: | InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1 | Definition date: | 2021-09-27 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea |
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![8RI 8RI](https://data.pdbj.org/pdbjplus/data/cc/svg/8RI.svg) | 8RI | Name: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide | Formula: | C24 H26 N2 O2 | SMILES: | Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1 | InChi: | InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1 | Definition date: | 2021-09-29 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide |
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![0I3 0I3](https://data.pdbj.org/pdbjplus/data/cc/svg/0I3.svg) | 0I3 | Name: | Andilesin C | Formula: | C25 H32 O5 | SMILES: | CC1(C)OC(=O)C=C[C]2(C)[CH]1CC[C]34C[C]5(C)C[CH]6C(=O)OC[C]36[C](C)(C[CH]24)C5=O | InChi: | InChI=1S/C25H32O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
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![0IP 0IP](https://data.pdbj.org/pdbjplus/data/cc/svg/0IP.svg) | 0IP | Name: | Terretonin C | Formula: | C24 H30 O7 | SMILES: | C[CH]1OC(=O)[CH]2[C](C)(C(=C)C[C]3(O)[C]4(C)CCC(=O)C(C)(C)C4=C(O)C(=O)[C]23C)C1=O | InChi: | InChI=1S/C24H30O7/c1-11-10-24(30)21(5)9-8-13(25)20(3,4)15(21)14(26)18(28)23(24,7)16-19(29)31-12(2)17(27)22(11,16)6/h12,16,26,30H,1,8-10H2,2-7H3/t12-,16-,21+,22+,23-,24+/m0/s1 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{S},4~{a}~{S},4~{b}~{R},10~{a}~{R},10~{b}~{R},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-6,10~{b}-bis(oxidanyl)-4~{a},9,10,11-tetrahydronaphtho[1,2-h]isochromene-1,4,5,8-tetrone |
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![I6W I6W](https://data.pdbj.org/pdbjplus/data/cc/svg/I6W.svg) | I6W | Name: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate | Formula: | C14 H12 N2 O3 | SMILES: | O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1 | InChi: | InChI=1S/C14H12N2O3/c1-2-19-14(18)11-4-6-13(16-8-11)12-5-3-10(9-17)7-15-12/h3-9H,2H2,1H3 | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate |
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![I77 I77](https://data.pdbj.org/pdbjplus/data/cc/svg/I77.svg) | I77 | Name: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide | Formula: | C12 H11 N5 O2 | SMILES: | NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN | InChi: | InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19) | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide |
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![I7E I7E](https://data.pdbj.org/pdbjplus/data/cc/svg/I7E.svg) | I7E | Name: | tert-butylbenzene | Formula: | C10 H14 | SMILES: | CC(C)(C)c1ccccc1 | InChi: | InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 | Definition date: | 2022-01-20 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | tert-butylbenzene |
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![J6L J6L](https://data.pdbj.org/pdbjplus/data/cc/svg/J6L.svg) | J6L | Name: | 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one | Formula: | C23 H22 O6 | SMILES: | COc1cc(OC)c(cc1OC)C2=COc3c(ccc4OC(C)(C)C=Cc34)C2=O | InChi: | InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3 | Definition date: | 2021-04-15 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-f]chromen-4-one |
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![J79 J79](https://data.pdbj.org/pdbjplus/data/cc/svg/J79.svg) | J79 | Name: | (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid | Formula: | C11 H20 N O11 P | SMILES: | C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O | InChi: | InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1 | Definition date: | 2021-04-19 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid |
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![0BJ 0BJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0BJ.svg) | 0BJ | Name: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate | Formula: | C16 H14 O6 | SMILES: | COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O | InChi: | InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3 | Definition date: | 2021-06-08 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate |
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![0CC 0CC](https://data.pdbj.org/pdbjplus/data/cc/svg/0CC.svg) | 0CC | Name: | Andiconin D | Formula: | C25 H30 O4 | SMILES: | CC1(C)[CH]2CC[C]34C[C]5(C)C=C6C(=O)OC[C]36[C](C)(C[CH]4[C]2(C)C=CC1=O)C5=O | InChi: | InChI=1S/C25H30O4/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(20)26/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1 | Definition date: | 2021-06-08 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
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![0ER 0ER](https://data.pdbj.org/pdbjplus/data/cc/svg/0ER.svg) | 0ER | Name: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate | Formula: | C16 H14 O7 | SMILES: | COC(=O)c1c(O)c(C)cc(O)c1C(=O)c2c(O)cccc2O | InChi: | InChI=1S/C16H14O7/c1-7-6-10(19)12(13(14(7)20)16(22)23-2)15(21)11-8(17)4-3-5-9(11)18/h3-6,17-20H,1-2H3 | Definition date: | 2021-06-09 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate |
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![K71 K71](https://data.pdbj.org/pdbjplus/data/cc/svg/K71.svg) | K71 | Name: | 3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid | Formula: | C9 H16 O8 | SMILES: | COC1CC(O)(C(O)=O)OC(C1O)C(CO)O | InChi: | InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1 | Definition date: | 2018-11-05 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 | Identifier: | 3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid |
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![J7U J7U](https://data.pdbj.org/pdbjplus/data/cc/svg/J7U.svg) | J7U | Name: | chromium-5,10,15,20-tetraphenylporphyrin | Formula: | C44 H28 Cr N4 | SMILES: | [Cr]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5 | InChi: | InChI=1S/C44H28N4.Cr/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36 | Definition date: | 2021-04-21 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
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![J7X J7X](https://data.pdbj.org/pdbjplus/data/cc/svg/J7X.svg) | J7X | Name: | Mn-5,10,15,20-Tetraphenylporphyrin | Formula: | C44 H28 Mn N4 | SMILES: | [Mn]1N2C3=C(c4ccccc4)C5=NC(=C(c6ccccc6)c7ccc(n17)C(=C8C=CC(=N8)C(=C2C=C3)c9ccccc9)c%10ccccc%10)C=C5 | InChi: | InChI=1S/C44H28N4.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36 | Definition date: | 2021-04-21 | Last modified: | 2022-04-15 | Release date: | 2022-04-20 |
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