![HRR HRR](https://data.pdbj.org/pdbjplus/data/cc/svg/HRR.svg) | HRR | Name: | 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid | Formula: | C17 H16 N2 O4 | SMILES: | OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)cn1 | InChi: | InChI=1S/C17H16N2O4/c20-16(21)13-7-14(17(22)23)19-9-15(13)18-8-11-3-1-2-4-12(11)10-5-6-10/h1-4,7,9-10,18H,5-6,8H2,(H,20,21)(H,22,23) | Definition date: | 2021-01-29 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 5-[(2-cyclopropylphenyl)methylamino]pyridine-2,4-dicarboxylic acid |
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![80P 80P](https://data.pdbj.org/pdbjplus/data/cc/svg/80P.svg) | 80P | Name: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | Formula: | C28 H32 F3 N3 O7 | SMILES: | NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F | InChi: | InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1 | Synonyms: | TP-6076 | Definition date: | 2021-08-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![NDW NDW](https://data.pdbj.org/pdbjplus/data/cc/svg/NDW.svg) | NDW | Name: | alpha-NADPH | Formula: | C21 H30 N7 O17 P3 | SMILES: | NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 | Synonyms: | [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Definition date: | 2022-01-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
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![81K 81K](https://data.pdbj.org/pdbjplus/data/cc/svg/81K.svg) | 81K | Name: | (Z)-hexadec-9-enal | Formula: | C16 H30 O | SMILES: | CCCCCCC=CCCCCCCCC=O | InChi: | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7- | Definition date: | 2021-11-11 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (~{Z})-hexadec-9-enal |
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![85B 85B](https://data.pdbj.org/pdbjplus/data/cc/svg/85B.svg) | 85B | Name: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid | Formula: | C22 H22 F3 N3 O5 | SMILES: | Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O | InChi: | InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30) | Definition date: | 2021-11-25 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid |
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![0UD 0UD](https://data.pdbj.org/pdbjplus/data/cc/svg/0UD.svg) | 0UD | Name: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea | Formula: | C16 H26 N4 O | SMILES: | O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC | InChi: | InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21) | Definition date: | 2021-06-15 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea |
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![7IE 7IE](https://data.pdbj.org/pdbjplus/data/cc/svg/7IE.svg) | 7IE | Name: | Flupyradifurone | Formula: | C12 H11 Cl F2 N2 O2 | SMILES: | FC(F)CN(Cc1ccc(Cl)nc1)C2=CC(=O)OC2 | InChi: | InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2 | Synonyms: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one | Definition date: | 2021-08-05 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 3-[2,2-bis(fluoranyl)ethyl-[(6-chloranylpyridin-3-yl)methyl]amino]-2~{H}-furan-5-one |
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![7II 7II](https://data.pdbj.org/pdbjplus/data/cc/svg/7II.svg) | 7II | Name: | Sulfoxaflor | Formula: | C10 H10 F3 N3 O S | SMILES: | C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N | InChi: | InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1 | Synonyms: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide | Definition date: | 2021-08-05 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide |
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![RDZ RDZ](https://data.pdbj.org/pdbjplus/data/cc/svg/RDZ.svg) | RDZ | Name: | Geranyl phosphate | Formula: | C10 H19 O4 P | SMILES: | CC(C)=CCCC(C)=CCO[P](O)(O)=O | InChi: | InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+ | Synonyms: | [(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate | Definition date: | 2020-09-28 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate |
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![5II 5II](https://data.pdbj.org/pdbjplus/data/cc/svg/5II.svg) | 5II | Name: | methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside | Formula: | C8 H16 O5 | SMILES: | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C | InChi: | InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1 | Definition date: | 2021-08-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol |
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![A4I A4I](https://data.pdbj.org/pdbjplus/data/cc/svg/A4I.svg) | A4I | Name: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate | Formula: | C56 H87 N O16 | SMILES: | CC(CO)(CO)C(=O)OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=O)C1)CCC2C | InChi: | InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1 | Synonyms: | Temsirolimus | Definition date: | 2021-11-05 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate |
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![10I 10I](https://data.pdbj.org/pdbjplus/data/cc/svg/10I.svg) | 10I | Name: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea | Formula: | C15 H24 N4 O | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NCCC | InChi: | InChI=1S/C15H24N4O/c1-4-10-17-14(16)19-15(20)18-13-11(5-2)8-7-9-12(13)6-3/h7-9H,4-6,10H2,1-3H3,(H4,16,17,18,19,20) | Definition date: | 2021-06-21 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-(2,6-diethylphenyl)-N'-(N-propylcarbamimidoyl)urea |
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![17I 17I](https://data.pdbj.org/pdbjplus/data/cc/svg/17I.svg) | 17I | Name: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea | Formula: | C13 H20 N4 O | SMILES: | O=C(Nc1c(cccc1CC)CC)NC(=N)NC | InChi: | InChI=1S/C13H20N4O/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18) | Definition date: | 2021-06-21 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | N-(2,6-diethylphenyl)-N'-(N-methylcarbamimidoyl)urea |
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![7OB 7OB](https://data.pdbj.org/pdbjplus/data/cc/svg/7OB.svg) | 7OB | Name: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate | Formula: | C20 H13 F3 N4 O2 | SMILES: | [O-]C1=C(C(=O)N2C=CC=CC2=[N+]1Cc3cncnc3)c4cccc(c4)C(F)(F)F | InChi: | InChI=1S/C20H13F3N4O2/c21-20(22,23)15-5-3-4-14(8-15)17-18(28)26-7-2-1-6-16(26)27(19(17)29)11-13-9-24-12-25-10-13/h1-10,12H,11H2 | Synonyms: | Triflumezopyrim | Definition date: | 2021-08-10 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate |
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![7OF 7OF](https://data.pdbj.org/pdbjplus/data/cc/svg/7OF.svg) | 7OF | Name: | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide | Formula: | C13 H9 Cl F3 N3 O | SMILES: | FC(F)(F)C(=O)N=C1C=CC=CN1Cc2ccc(Cl)nc2 | InChi: | InChI=1S/C13H9ClF3N3O/c14-10-5-4-9(7-18-10)8-20-6-2-1-3-11(20)19-12(21)13(15,16)17/h1-7H,8H2/b19-11+ | Definition date: | 2021-08-10 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide |
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![H5C H5C](https://data.pdbj.org/pdbjplus/data/cc/svg/H5C.svg) | H5C | Name: | 9-[(2R,3R,4R)-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3H-purine-2,6-dione | Formula: | C11 H14 N4 O6 | SMILES: | CO[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3C(=O)NC(=O)Nc23 | InChi: | InChI=1S/C11H14N4O6/c1-20-7-6(17)4(2-16)21-10(7)15-3-12-5-8(15)13-11(19)14-9(5)18/h3-4,6-7,10,16-17H,2H2,1H3,(H2,13,14,18,19)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 9-[(2~{R},3~{R},4~{R})-5-(hydroxymethyl)-3-methoxy-4-oxidanyl-oxolan-2-yl]-3~{H}-purine-2,6-dione |
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![H5F H5F](https://data.pdbj.org/pdbjplus/data/cc/svg/H5F.svg) | H5F | Name: | 6-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-2-one | Formula: | C10 H13 N5 O5 | SMILES: | NC1=C2N=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C2=NC(=O)N1 | InChi: | InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1 | Definition date: | 2020-11-12 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-purin-2-one |
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![H93 H93](https://data.pdbj.org/pdbjplus/data/cc/svg/H93.svg) | H93 | Name: | 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one | Formula: | C11 H15 N5 O5 | SMILES: | CN1C(=Nc2n(cnc2C1=O)[CH]3O[CH](CO)[CH](O)[CH]3O)N | InChi: | InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-11-30 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-purin-6-one |
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![HD3 HD3](https://data.pdbj.org/pdbjplus/data/cc/svg/HD3.svg) | HD3 | Name: | 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C11 H14 N4 O5 | SMILES: | NC1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H14N4O5/c12-11-13-8-4(9(19)14-11)1-2-15(8)10-7(18)6(17)5(3-16)20-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,19)/t5-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 2-azanyl-7-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3~{H}-pyrrolo[2,3-d]pyrimidin-4-one |
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![HD9 HD9](https://data.pdbj.org/pdbjplus/data/cc/svg/HD9.svg) | HD9 | Name: | (2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | Formula: | C11 H15 N5 O5 | SMILES: | COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O | InChi: | InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2020-12-18 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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![ULZ ULZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ULZ.svg) | ULZ | Name: | 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine | Formula: | C18 H19 Br N4 O | SMILES: | Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)c2c1 | InChi: | InChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2 | Definition date: | 2021-03-02 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
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![UMT UMT](https://data.pdbj.org/pdbjplus/data/cc/svg/UMT.svg) | UMT | Name: | 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine | Formula: | C18 H20 N4 O | SMILES: | C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2 | InChi: | InChI=1S/C18H20N4O/c1-2-4-17-16(3-1)14(13-20-17)5-6-15-7-8-19-18(21-15)22-9-11-23-12-10-22/h1-4,7-8,13,20H,5-6,9-12H2 | Definition date: | 2021-03-02 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine |
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![UMZ UMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/UMZ.svg) | UMZ | Name: | 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole | Formula: | C14 H13 N3 | SMILES: | C(Cc1c[nH]c2ccccc12)c3ccncn3 | InChi: | InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2 | Definition date: | 2021-03-02 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole |
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![98R 98R](https://data.pdbj.org/pdbjplus/data/cc/svg/98R.svg) | 98R | Name: | [(2S)-2-[(E)-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate | Formula: | C39 H72 O5 | SMILES: | CCCCCCCC=CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC=CCCCCCCC | InChi: | InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h15-18,37,40H,3-14,19-36H2,1-2H3/b17-15?,18-16+/t37-/m0/s1 | Definition date: | 2022-01-11 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | [(2~{S})-2-[(~{E})-octadec-10-enoyl]oxy-3-oxidanyl-propyl] octadec-10-enoate |
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![VEE VEE](https://data.pdbj.org/pdbjplus/data/cc/svg/VEE.svg) | VEE | Name: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C15 H30 N4 O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)C[CH]1NCCCCCCCCN=[N+]=[N-] | InChi: | InChI=1S/C15H30N4O4/c16-19-18-8-6-4-2-1-3-5-7-17-12-9-13(21)15(23)14(22)11(12)10-20/h11-15,17,20-23H,1-10H2/t11-,12-,13+,14+,15+/m0/s1 | Synonyms: | N-alkyl mannocyclophellitol aziridine | Definition date: | 2021-05-11 | Last modified: | 2022-01-28 | Release date: | 2022-02-02 | Identifier: | (1~{R},2~{R},3~{R},4~{R},5~{S})-5-(8-azidooctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol |
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