![BGZ BGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BGZ.svg) | BGZ | Name: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate | Formula: | C30 H48 O8 | SMILES: | CC[CH](O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C | InChi: | InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1 | Definition date: | 2017-10-04 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate |
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![3NQ 3NQ](https://data.pdbj.org/pdbjplus/data/cc/svg/3NQ.svg) | 3NQ | Name: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol | Formula: | C24 H32 N2 O2 | SMILES: | ON=C3/CC5C2C(C(c1cccnc1)=CC2)(C)CCC5C4(C)CCC(O)CC34 | InChi: | InChI=1S/C24H32N2O2/c1-23-10-8-20-17(19(23)6-5-18(23)15-4-3-11-25-14-15)13-22(26-28)21-12-16(27)7-9-24(20,21)2/h3-5,11,14,16-17,19-21,27-28H,6-10,12-13H2,1-2H3/b26-22+/t16-,17-,19-,20-,21+,23+,24+/m0/s1 | Definition date: | 2014-09-26 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | (3alpha,5alpha,6E,8alpha)-6-(hydroxyimino)-17-(pyridin-3-yl)androst-16-en-3-ol |
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![DKN DKN](https://data.pdbj.org/pdbjplus/data/cc/svg/DKN.svg) | DKN | Name: | Disorazole Z | Formula: | C40 H46 N2 O12 | SMILES: | COC(=O)[C](C)([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[C](C)([CH](O)C=CC)C(=O)OC | InChi: | InChI=1S/C40H46N2O12/c1-7-19-29(43)39(3,37(47)49-5)31-21-15-11-9-13-17-24-34-42-28(26-52-34)36(46)54-32(40(4,38(48)50-6)30(44)20-8-2)22-16-12-10-14-18-23-33-41-27(25-51-33)35(45)53-31/h7-20,23-26,29-32,43-44H,21-22H2,1-6H3/b13-9+,14-10+,15-11-,16-12-,19-7+,20-8+,23-18+,24-17+/t29-,30-,31-,32-,39-,40-/m0/s1 | Definition date: | 2018-01-23 | Last modified: | 2018-05-25 | Release date: | 2018-05-30 | Identifier: | methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-2-methyl-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-2-methyl-3-oxidanyl-hex-4-enoate |
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![EZ1 EZ1](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ1.svg) | EZ1 | Name: | 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide | Formula: | C9 H11 N O2 S Se | SMILES: | c1c(ccc(c1)[Se]C[C@H]=C)S(N)(=O)=O | InChi: | InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12) | Definition date: | 2018-02-13 | Last modified: | 2018-05-18 | Release date: | 2018-05-23 | Identifier: | 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide |
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![UHH UHH](https://data.pdbj.org/pdbjplus/data/cc/svg/UHH.svg) | UHH | Name: | (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE | Formula: | C24 H39 N O4 | SMILES: | O=C(N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O)C23C)C | InChi: | InChI=1S/C24H39NO4/c1-13(4-7-21(25)29)16-5-6-17-22-18(12-20(28)24(16,17)3)23(2)9-8-15(26)10-14(23)11-19(22)27/h8-9,13-20,22,26-28H,4-7,10-12H2,1-3H3,(H2,25,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 | Definition date: | 2007-01-19 | Last modified: | 2018-05-11 | Release date: | 2018-05-16 | Identifier: | (3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxychol-1-en-24-amide |
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![8V6 8V6](https://data.pdbj.org/pdbjplus/data/cc/svg/8V6.svg) | 8V6 | Name: | (2Z,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid | Formula: | C25 H30 O4 | SMILES: | Cc1ccc(cc1)C#CCO[CH]2CC(C)(C)[C](O)(C=CC(C)=CC(O)=O)C(=C2)C | InChi: | InChI=1S/C25H30O4/c1-18-8-10-21(11-9-18)7-6-14-29-22-16-20(3)25(28,24(4,5)17-22)13-12-19(2)15-23(26)27/h8-13,15-16,22,28H,14,17H2,1-5H3,(H,26,27)/b13-12+,19-15-/t22-,25-/m1/s1 | Definition date: | 2017-10-03 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | (2~{Z},4~{E})-3-methyl-5-[(1~{S},4~{S})-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid |
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![8WU 8WU](https://data.pdbj.org/pdbjplus/data/cc/svg/8WU.svg) | 8WU | Name: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one | Formula: | C22 H22 O5 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1O | InChi: | InChI=1S/C22H22O5/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)17(23)8-5-14-6-9-20(26-4)18(24)13-14/h5-13,24H,1-4H3/b8-5+ | Definition date: | 2017-10-19 | Last modified: | 2018-04-13 | Release date: | 2018-04-18 | Identifier: | (~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one |
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![Y50 Y50](https://data.pdbj.org/pdbjplus/data/cc/svg/Y50.svg) | Y50 | Name: | E-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one | Formula: | C22 H23 N O4 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1N | InChi: | InChI=1S/C22H23NO4/c1-22(2)12-11-16-19(25-3)10-7-15(21(16)27-22)18(24)8-5-14-6-9-20(26-4)17(23)13-14/h5-13H,23H2,1-4H3/b8-5+ | Definition date: | 2017-10-19 | Last modified: | 2018-04-06 | Release date: | 2018-04-11 | Identifier: | (~{E})-3-(3-azanyl-4-methoxy-phenyl)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)prop-2-en-1-one |
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![8X0 8X0](https://data.pdbj.org/pdbjplus/data/cc/svg/8X0.svg) | 8X0 | Name: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one | Formula: | C22 H22 O4 | SMILES: | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1 | InChi: | InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+ | Definition date: | 2017-10-25 | Last modified: | 2018-04-06 | Release date: | 2018-04-11 | Identifier: | (~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
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![98D 98D](https://data.pdbj.org/pdbjplus/data/cc/svg/98D.svg) | 98D | Name: | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(O)C)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m0/s1 | Definition date: | 2017-04-09 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![98G 98G](https://data.pdbj.org/pdbjplus/data/cc/svg/98G.svg) | 98G | Name: | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(C)O)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m1/s1 | Definition date: | 2017-04-09 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![99V 99V](https://data.pdbj.org/pdbjplus/data/cc/svg/99V.svg) | 99V | Name: | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | Formula: | C27 H31 F N8 O2 | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4cc(F)c(cc4)N5CCN(C)CC5)CC=C)C(O)(C)C | InChi: | InChI=1S/C27H31FN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32) | Definition date: | 2017-04-11 | Last modified: | 2018-03-29 | Release date: | 2018-04-04 | Identifier: | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![F3D F3D](https://data.pdbj.org/pdbjplus/data/cc/svg/F3D.svg) | F3D | Name: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide | Formula: | C31 H36 N4 O2 | SMILES: | C(/C(c1ccccc1)=C(/c2ccc(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C | InChi: | InChI=1S/C31H36N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-7,9-10,12-17,21-22,32H,4,8,11,18-20H2,1-3H3,(H,33,34)/b31-28+ | Definition date: | 2018-02-26 | Last modified: | 2018-03-16 | Release date: | 2018-03-21 | Identifier: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide |
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![9AX 9AX](https://data.pdbj.org/pdbjplus/data/cc/svg/9AX.svg) | 9AX | Name: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate | Formula: | C20 H36 O7 P2 | SMILES: | O=P(O)(OP(=O)(O)O)OC[C@H]=C(CCC2(C)C(CC=C1C(C)(C)CCCC12)C)C | InChi: | InChI=1S/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)10-13-20(5)16(2)8-9-17-18(20)7-6-12-19(17,3)4/h9,11,16,18H,6-8,10,12-14H2,1-5H3,(H,24,25)(H2,21,22,23)/b15-11+/t16-,18+,20+/m0/s1 | Definition date: | 2018-02-26 | Last modified: | 2018-03-09 | Release date: | 2018-03-14 | Identifier: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate |
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![C9V C9V](https://data.pdbj.org/pdbjplus/data/cc/svg/C9V.svg) | C9V | Name: | [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron | Formula: | C82 H139 B F2 N2 O18 P2 | SMILES: | C1(=CC(=[N+]3C1=C(CCCC(OC(COP(OCC(OC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)COC(C)=O)(=O)O)COP(O)(OCC(COC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)OC(CCCCCCC[C@H]=[C@H]CCCCCCCC)=O)=O)=O)c2c(C)cc(n2[B-]3(F)F)C)C)C | InChi: | InChI=1S/C82H139BF2N2O18P2/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-56-77(89)98-63-74(104-79(91)58-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)65-100-107(95,96)102-67-75(105-80(92)59-54-55-76-81-68(4)60-70(6)86(81)83(84,85)87-71(7)61-69(5)82(76)87)66-101-106(93,94)99-64-73(62-97-72(8)88)103-78(90)57-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2/h30-35,60-61,73-75H,9-29,36-59,62-67H2,1-8H3,(H,93,94)(H,95,96)/b33-30+,34-31+,35-32+/t73-,74+,75+/m0/s1 | Definition date: | 2017-09-20 | Last modified: | 2018-03-02 | Release date: | 2018-03-07 | Identifier: | [(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron |
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![8MK 8MK](https://data.pdbj.org/pdbjplus/data/cc/svg/8MK.svg) | 8MK | Name: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one | Formula: | C10 H10 O2 | SMILES: | CC(=O)C=Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+ | Definition date: | 2017-02-11 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one |
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![8QD 8QD](https://data.pdbj.org/pdbjplus/data/cc/svg/8QD.svg) | 8QD | Name: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol | Formula: | C24 H33 N O | SMILES: | c1ccncc1C=4C3(CCC5C2(CCC(O)CC2CCC5C3CC=4)C)C | InChi: | InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18+,19-,21-,22-,23-,24+/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (3alpha,5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-ol |
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![C7Z C7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C7Z.svg) | C7Z | Name: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol | Formula: | C40 H56 O2 | SMILES: | CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1 | Definition date: | 2017-11-17 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol |
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![EJ7 EJ7](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ7.svg) | EJ7 | Name: | N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide | Formula: | C18 H18 F N5 O3 | SMILES: | c1(cc(c(cc1)F)C3(C)C2CC2OC(=N3)N)NC(=O)c4cnc(cn4)OC | InChi: | InChI=1S/C18H18FN5O3/c1-18(11-6-14(11)27-17(20)24-18)10-5-9(3-4-12(10)19)23-16(25)13-7-22-15(26-2)8-21-13/h3-5,7-8,11,14H,6H2,1-2H3,(H2,20,24)(H,23,25)/t11-,14+,18+/m0/s1 | Definition date: | 2018-01-12 | Last modified: | 2018-02-16 | Release date: | 2018-02-21 | Identifier: | N-{3-[(1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide |
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![B0B B0B](https://data.pdbj.org/pdbjplus/data/cc/svg/B0B.svg) | B0B | Name: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol | Formula: | C27 H42 O2 | SMILES: | CC(C)=CCC[C](C)(O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)CCC3=C | InChi: | InChI=1S/C27H42O2/c1-19(2)8-6-17-27(5,29)25-15-14-24-21(9-7-16-26(24,25)4)11-12-22-18-23(28)13-10-20(22)3/h8,11-12,23-25,28-29H,3,6-7,9-10,13-18H2,1-2,4-5H3/b21-11+,22-12-/t23-,24-,25-,26-,27-/m0/s1 | Definition date: | 2017-08-31 | Last modified: | 2018-02-02 | Release date: | 2018-02-07 | Identifier: | (1~{S},3~{Z})-3-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol |
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![8Y0 8Y0](https://data.pdbj.org/pdbjplus/data/cc/svg/8Y0.svg) | 8Y0 | Name: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine | Formula: | C41 H51 F3 N6 O5 | SMILES: | OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCCCCNC(=O)C(F)(F)F | InChi: | InChI=1S/C41H51F3N6O5/c42-41(43,44)40(55)46-26-18-11-13-25-36(52)49-30-31-20-14-15-22-33(31)39-38(34-23-16-17-24-35(34)49)47-48-50(39)27-19-10-8-6-4-2-1-3-5-7-9-12-21-32(51)28-45-29-37(53)54/h12,14-17,20-24,28H,1-11,13,18-19,25-27,29-30H2,(H,46,55)(H,53,54)/b21-12+,45-28+ | Definition date: | 2017-11-06 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 |
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![DYJ DYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DYJ.svg) | DYJ | Name: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline | Formula: | C10 H13 N O5 | SMILES: | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O | InChi: | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 | Definition date: | 2017-11-16 | Last modified: | 2017-11-17 | Release date: | 2017-11-22 | Identifier: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
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![ZEX ZEX](https://data.pdbj.org/pdbjplus/data/cc/svg/ZEX.svg) | ZEX | Name: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol | Formula: | C40 H56 O2 | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=CC(C)C(O)CC1(C)C)C)C)C)C)C(C)(C)C2)C | InChi: | InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-25-34(6)38(42)28-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-33(5)26-36(41)27-40(37,9)10/h11-25,34,36,38,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,36-,38+/m0/s1 | Definition date: | 2005-09-06 | Last modified: | 2017-10-30 | Identifier: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol |
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![8WE 8WE](https://data.pdbj.org/pdbjplus/data/cc/svg/8WE.svg) | 8WE | Name: | (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide | Formula: | C29 H45 N O6 | SMILES: | CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2C[CH](C)C[CH](CCCC(=O)C[CH](C)CCCC(=O)O1)O2)C | InChi: | InChI=1S/C29H45NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-7,13,18,20-21,24-26,29,34H,8-12,14-17,19H2,1-4H3,(H,30,32)/b6-5+,13-7-,22-18+/t20-,21-,24+,25+,26+,29+/m1/s1 | Definition date: | 2017-03-16 | Last modified: | 2017-10-20 | Release date: | 2017-10-25 | Identifier: | (2~{Z},4~{E})-~{N}-[(~{S})-oxidanyl-[(1~{S},2~{E},5~{S},11~{R},17~{S},19~{R})-3,11,19-trimethyl-7,13-bis(oxidanylidene)-6,21-dioxabicyclo[15.3.1]henicos-2-en-5-yl]methyl]hexa-2,4-dienamide |
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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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