![MK9 MK9](https://data.pdbj.org/pdbjplus/data/cc/svg/MK9.svg) | MK9 | Name: | N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide | Formula: | C32 H39 Cl2 N7 O4 | SMILES: | Clc1c(c(c(cc1OC)OC)Cl)N2C(N(c3c(C2)cnc(NCCCCN(CC)CC)n3)Cc4cc(ccc4)NC(C=C)=O)=O | InChi: | InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38) | Definition date: | 2017-02-15 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide |
|
![D8Z D8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/D8Z.svg) | D8Z | Name: | Artemether | Formula: | C16 H26 O5 | SMILES: | CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3 | InChi: | InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1 | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 |
|
![D95 D95](https://data.pdbj.org/pdbjplus/data/cc/svg/D95.svg) | D95 | Name: | Artesunate | Formula: | C19 H28 O8 | SMILES: | C[CH]1CC[CH]2[CH](C)[CH](O[CH]3O[C]4(C)CC[CH]1[C]23OO4)OC(=O)CCC(O)=O | InChi: | InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1 | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 |
|
![EGP EGP](https://data.pdbj.org/pdbjplus/data/cc/svg/EGP.svg) | EGP | Name: | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | Formula: | C31 H39 N7 O2 S | SMILES: | n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6 | InChi: | InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41) | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea |
|
![EH1 EH1](https://data.pdbj.org/pdbjplus/data/cc/svg/EH1.svg) | EH1 | Name: | 4-cyclohexylbenzoic acid | Formula: | C13 H16 O2 | SMILES: | C1(CCCCC1)c2ccc(C(=O)O)cc2 | InChi: | InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15) | Definition date: | 2018-01-10 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-cyclohexylbenzoic acid |
|
![EHY EHY](https://data.pdbj.org/pdbjplus/data/cc/svg/EHY.svg) | EHY | Name: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | Formula: | C14 H15 N3 S | SMILES: | c1ccc(cc1)CCNC(Nc2cccnc2)=S | InChi: | InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18) | Definition date: | 2018-01-11 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
|
![EJD EJD](https://data.pdbj.org/pdbjplus/data/cc/svg/EJD.svg) | EJD | Name: | 4-(thiophen-3-yl)benzoic acid | Formula: | C11 H8 O2 S | SMILES: | c1(ccsc1)c2ccc(C(O)=O)cc2 | InChi: | InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13) | Definition date: | 2018-01-13 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-(thiophen-3-yl)benzoic acid |
|
![EJV EJV](https://data.pdbj.org/pdbjplus/data/cc/svg/EJV.svg) | EJV | Name: | 4-heptylbenzoic acid | Formula: | C14 H20 O2 | SMILES: | c1cc(ccc1C(O)=O)CCCCCCC | InChi: | InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16) | Definition date: | 2018-01-15 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 4-heptylbenzoic acid |
|
![EKA EKA](https://data.pdbj.org/pdbjplus/data/cc/svg/EKA.svg) | EKA | Name: | [cyclohexyl(hydroxy)amino](oxo)acetic acid | Formula: | C8 H13 N O4 | SMILES: | C(C(N(C1CCCCC1)O)=O)(O)=O | InChi: | InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12) | Definition date: | 2018-01-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | [cyclohexyl(hydroxy)amino](oxo)acetic acid |
|
![EKD EKD](https://data.pdbj.org/pdbjplus/data/cc/svg/EKD.svg) | EKD | Name: | (cyclohexylamino)(oxo)acetic acid | Formula: | C8 H13 N O3 | SMILES: | C(C(NC1CCCCC1)=O)(O)=O | InChi: | InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12) | Definition date: | 2018-01-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | (cyclohexylamino)(oxo)acetic acid |
|
![EKV EKV](https://data.pdbj.org/pdbjplus/data/cc/svg/EKV.svg) | EKV | Name: | N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine | Formula: | C28 H37 N O2 Si | SMILES: | CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C | InChi: | InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3 | Definition date: | 2018-01-19 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine |
|
![EMV EMV](https://data.pdbj.org/pdbjplus/data/cc/svg/EMV.svg) | EMV | Name: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine | Formula: | C27 H31 N O S2 | SMILES: | c2c(c1cscc1)csc2COc3cccc(c3)CN(CC=CC#CC(C)(C)C)CC | InChi: | InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+ | Definition date: | 2018-01-22 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine |
|
![F0A F0A](https://data.pdbj.org/pdbjplus/data/cc/svg/F0A.svg) | F0A | Name: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide | Formula: | C27 H33 N O4 | SMILES: | O=C(N)c1cc(ccc1)CC4C(O)C3(CCC5c2cc(c(cc2CCC5C3C4)O)OC)C | InChi: | InChI=1S/C27H33NO4/c1-27-9-8-19-20(7-6-16-13-23(29)24(32-2)14-21(16)19)22(27)12-18(25(27)30)11-15-4-3-5-17(10-15)26(28)31/h3-5,10,13-14,18-20,22,25,29-30H,6-9,11-12H2,1-2H3,(H2,28,31)/t18-,19-,20+,22-,25-,27-/m0/s1 | Definition date: | 2018-02-22 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide |
|
![F0D F0D](https://data.pdbj.org/pdbjplus/data/cc/svg/F0D.svg) | F0D | Name: | 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide | Formula: | C28 H34 Br N O2 | SMILES: | c1cc(CCBr)cc2c1C3C(CC2)C4C(CC3)(C(O)C(C4)Cc5cc(ccc5)C(N)=O)C | InChi: | InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1 | Definition date: | 2018-02-22 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide |
|
![F0J F0J](https://data.pdbj.org/pdbjplus/data/cc/svg/F0J.svg) | F0J | Name: | 2,4-dimethoxyphenol | Formula: | C8 H10 O3 | SMILES: | COc1ccc(c(OC)c1)O | InChi: | InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3 | Definition date: | 2018-02-22 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 2,4-dimethoxyphenol |
|
![F0Z F0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/F0Z.svg) | F0Z | Name: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol | Formula: | C10 H12 N2 S | SMILES: | Sc1ccccc1C2=NCCCN2 | InChi: | InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12) | Definition date: | 2018-05-16 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol |
|
![FFN FFN](https://data.pdbj.org/pdbjplus/data/cc/svg/FFN.svg) | FFN | Name: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one | Formula: | C13 H9 F N2 O S | SMILES: | CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1 | InChi: | InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17) | Definition date: | 2018-06-27 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
|
![FHJ FHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FHJ.svg) | FHJ | Name: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | Formula: | C25 H27 N O5 | SMILES: | c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C | InChi: | InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1 | Definition date: | 2018-04-02 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
|
![YY4 YY4](https://data.pdbj.org/pdbjplus/data/cc/svg/YY4.svg) | YY4 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C30 H33 Cl2 N7 O4 | SMILES: | COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(C5)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C30H33Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h5-11,15-16,21H,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY5 YY5](https://data.pdbj.org/pdbjplus/data/cc/svg/YY5.svg) | YY5 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C27 H35 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY6 YY6](https://data.pdbj.org/pdbjplus/data/cc/svg/YY6.svg) | YY6 | Name: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C30 H39 Cl2 N7 O4 | SMILES: | COc1cc(OC)c(Cl)c(c1Cl)N4Cc3cnc(NC2CCCCC2)nc3N(C4=O)C5CCN(C5)C([C@H]=CCN(C)C)=O | InChi: | InChI=1S/C30H39Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h8,11,15-16,20-21H,5-7,9-10,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![YY7 YY7](https://data.pdbj.org/pdbjplus/data/cc/svg/YY7.svg) | YY7 | Name: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one | Formula: | C25 H31 Cl2 N7 O4 | SMILES: | COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c3c(C2)cnc(NC)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O | InChi: | InChI=1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1 | Definition date: | 2017-02-03 | Last modified: | 2019-01-11 | Release date: | 2019-01-16 | Identifier: | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
|
![HUY HUY](https://data.pdbj.org/pdbjplus/data/cc/svg/HUY.svg) | HUY | Name: | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one | Formula: | C15 H12 F3 N O | SMILES: | CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O | InChi: | InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3 | Definition date: | 2018-07-23 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one |
|
![GUE GUE](https://data.pdbj.org/pdbjplus/data/cc/svg/GUE.svg) | GUE | Name: | 5,10-Methenyltetrahydrofolate | Formula: | C20 H22 N7 O6 | SMILES: | NC1=NC(=O)C2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1 | InChi: | InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1 | Definition date: | 2018-10-09 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | (2~{S})-2-[[4-[(6~{a}~{R})-3-azanyl-1-oxidanylidene-5,6,6~{a},7-tetrahydro-4~{H}-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]carbonylamino]pentanedioic acid |
|
![JTD JTD](https://data.pdbj.org/pdbjplus/data/cc/svg/JTD.svg) | JTD | Name: | N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide | Formula: | C54 H105 N O9 | SMILES: | C2(OC(CO)C(OCC1CC1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C54H105NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-49(58)55-46(50(59)47(57)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-63-54-52(61)51(60)53(48(42-56)64-54)62-43-45-40-41-45/h45-48,50-54,56-57,59-61H,3-44H2,1-2H3,(H,55,58)/t46-,47+,48+,50-,51+,52+,53-,54-/m0/s1 | Definition date: | 2018-09-21 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide |
|