![YM6 YM6](https://data.pdbj.org/pdbjplus/data/cc/svg/YM6.svg) | YM6 | 表記: | 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine | 組成式: | C14 H16 N6 O | SMILES: | NC[CH]1CN(CCO1)c2ncnc3[nH]c4cnccc4c23 | InChi: | InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)/t9-/m1/s1 | 定義日: | 2011-06-06 | 最終更新日: | 2023-09-23 | 識別子(ID): | [(2~{R})-4-(4,6,8,11-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaen-3-yl)morpholin-2-yl]methanamine |
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![NKL NKL](https://data.pdbj.org/pdbjplus/data/cc/svg/NKL.svg) | NKL | 表記: | 2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone | 組成式: | C21 H27 Cl2 N3 O3 | SMILES: | ClCC(=O)N1CCC2(CC1)CN(C2)C(=O)C3(CCOCC3)Nc4ccc(Cl)cc4 | InChi: | InChI=1S/C21H27Cl2N3O3/c22-13-18(27)25-9-5-20(6-10-25)14-26(15-20)19(28)21(7-11-29-12-8-21)24-17-3-1-16(23)2-4-17/h1-4,24H,5-15H2 | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-1-[2-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-7-yl]ethanone |
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![NL1 NL1](https://data.pdbj.org/pdbjplus/data/cc/svg/NL1.svg) | NL1 | 表記: | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide | 組成式: | C15 H19 N5 O2 | SMILES: | NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1 | InChi: | InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-06-14 | 識別子(ID): | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
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![NLL NLL](https://data.pdbj.org/pdbjplus/data/cc/svg/NLL.svg) | NLL | 表記: | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide | 組成式: | C16 H16 N4 O | SMILES: | NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1 | InChi: | InChI=1S/C16H16N4O/c17-8-11-1-3-12(4-2-11)10-20-6-5-13-7-14(15(18)21)9-19-16(13)20/h1-7,9H,8,10,17H2,(H2,18,21) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-06-14 | 識別子(ID): | 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
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![POR POR](https://data.pdbj.org/pdbjplus/data/cc/svg/POR.svg) | POR | 表記: | PORPHYRIN FE(III) | 組成式: | C20 H12 Fe N4 | SMILES: | [Fe]1n2c3ccc2C=C4C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15 | InChi: | InChI=1S/C20H12N4.Fe/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14 | 定義日: | 1999-07-08 | 最終更新日: | 2023-09-23 |
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![ZRL ZRL](https://data.pdbj.org/pdbjplus/data/cc/svg/ZRL.svg) | ZRL | 表記: | 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE | 組成式: | C12 H7 Br N2 O S | SMILES: | BrC1=CNC(=O)c2cc(sc12)c3ccncc3 | InChi: | InChI=1S/C12H7BrN2OS/c13-9-6-15-12(16)8-5-10(17-11(8)9)7-1-3-14-4-2-7/h1-6H,(H,15,16) | 定義日: | 2011-06-17 | 最終更新日: | 2023-09-23 | 公開日: | 2011-06-29 | 識別子(ID): | 7-bromanyl-2-pyridin-4-yl-5~{H}-thieno[3,2-c]pyridin-4-one |
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![VER VER](https://data.pdbj.org/pdbjplus/data/cc/svg/VER.svg) | VER | 表記: | IRON-OCTAETHYLPORPHYRIN | 組成式: | C30 H27 Fe N4 O3 | SMILES: | CC1=CC2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=[O+]c4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C | InChi: | InChI=1S/C30H28N4O3.Fe/c1-7-20-18(6)29-34-27(20)14-24-17(5)22(9-10-28(35)36)26(32-24)12-19-11-15(3)23(31-19)13-25-16(4)21(8-2)30(33-25)37-29 | 別名: | VERDOHEME | 定義日: | 2004-07-28 | 最終更新日: | 2023-09-23 |
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![Q3Z Q3Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3Z.svg) | Q3Z | 表記: | Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | 組成式: | C20 H17 N5 O4 Pt | SMILES: | N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 | InChi: | InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10 | 定義日: | 2023-03-23 | 最終更新日: | 2023-09-23 | 公開日: | 2023-06-28 |
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![NMV NMV](https://data.pdbj.org/pdbjplus/data/cc/svg/NMV.svg) | NMV | 表記: | 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide | 組成式: | C14 H16 N4 O | SMILES: | NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1 | InChi: | InChI=1S/C14H16N4O/c15-7-10-1-3-11(4-2-10)8-17-13-6-5-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-06-14 | 識別子(ID): | 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide |
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![ZSV ZSV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSV.svg) | ZSV | 表記: | (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium | 組成式: | C32 H35 N2 O8 | SMILES: | COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1 | InChi: | InChI=1S/C32H34N2O8/c1-3-16-34(18-22-6-4-5-7-26(22)31(37)33-17-21-8-11-24(40-2)12-9-21)19-23-10-14-27-30(29(23)32(38)39)41-20-25(42-27)13-15-28(35)36/h3-12,14,25H,1,13,15-20H2,2H3,(H,33,37)(H,35,36)(H,38,39)/p+1/t25-/m0/s1 | 定義日: | 2011-07-01 | 最終更新日: | 2023-09-23 | 識別子(ID): | [(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium |
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![ZSW ZSW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSW.svg) | ZSW | 表記: | (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium | 組成式: | C28 H35 N2 O7 | SMILES: | CC[CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O | InChi: | InChI=1S/C28H34N2O7/c1-4-14-30(15-19-8-6-7-9-22(19)27(33)29-18(3)5-2)16-20-10-12-23-26(25(20)28(34)35)36-17-21(37-23)11-13-24(31)32/h4,6-10,12,18,21H,1,5,11,13-17H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/p+1/t18-,21+/m1/s1 | 定義日: | 2011-07-01 | 最終更新日: | 2023-09-23 | 識別子(ID): | [2-[[(2~{R})-butan-2-yl]carbamoyl]phenyl]methyl-[[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium |
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![NN9 NN9](https://data.pdbj.org/pdbjplus/data/cc/svg/NN9.svg) | NN9 | 表記: | 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide | 組成式: | C14 H16 N4 O | SMILES: | NCc1cccc(CNc2ccc(cn2)C(N)=O)c1 | InChi: | InChI=1S/C14H16N4O/c15-7-10-2-1-3-11(6-10)8-17-13-5-4-12(9-18-13)14(16)19/h1-6,9H,7-8,15H2,(H2,16,19)(H,17,18) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-06-14 | 識別子(ID): | 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide |
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![WCC WCC](https://data.pdbj.org/pdbjplus/data/cc/svg/WCC.svg) | WCC | 表記: | FE(3)-NI(1)-S(4) CLUSTER | 組成式: | Fe3 Ni S4 | SMILES: | S1[Fe]S[Fe]1.S2[Fe]S[Ni]2 | InChi: | InChI=1S/3Fe.Ni.4S | 別名: | C CLUSTER CUBANE | 定義日: | 2001-08-22 | 最終更新日: | 2023-09-23 |
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![PCD PCD](https://data.pdbj.org/pdbjplus/data/cc/svg/PCD.svg) | PCD | 表記: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V) | 組成式: | C19 H26 Mo N8 O16 P2 S2 | SMILES: | O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O | InChi: | InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14 | 別名: | MOLYBDENUM COFACTOR | 定義日: | 1999-07-08 | 最終更新日: | 2023-09-23 | 識別子(ID): | [[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![NOF NOF](https://data.pdbj.org/pdbjplus/data/cc/svg/NOF.svg) | NOF | 表記: | tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | 組成式: | C34 H45 Cl Ir N5 O4 S | SMILES: | CC1C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CCCC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34 | InChi: | InChI=1S/C24H31N5O4S.C10H15.ClH.Ir/c1-24(2,3)33-23(32)28-16-11-10-15(14-7-6-12-25-20(14)16)26-19(30)9-5-4-8-18-21-17(13-34-18)27-22(31)29-21 | 別名: | iridium catalyst for CH activation | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-08-23 | 識別子(ID): | ~{tert}-butyl 7'-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate |
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![XCC XCC](https://data.pdbj.org/pdbjplus/data/cc/svg/XCC.svg) | XCC | 表記: | FE(4)-NI(1)-S(4) CLUSTER | 組成式: | Fe4 Ni S4 | SMILES: | [Fe]S[Fe]S[Fe]S[Fe]S[Ni] | InChi: | InChI=1S/4Fe.Ni.4S | 別名: | C CLUSTER | 定義日: | 2002-12-20 | 最終更新日: | 2023-09-23 |
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![OM2 OM2](https://data.pdbj.org/pdbjplus/data/cc/svg/OM2.svg) | OM2 | 表記: | (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM | 組成式: | C22 H27 N2 O5 | SMILES: | CC[CH](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3OCOc3c2C(O)=O | InChi: | InChI=1S/C22H26N2O5/c1-4-14(2)23-21(25)17-8-6-5-7-15(17)11-24(3)12-16-9-10-18-20(29-13-28-18)19(16)22(26)27/h5-10,14H,4,11-13H2,1-3H3,(H,23,25)(H,26,27)/p+1/t14-/m0/s1 | 定義日: | 2011-07-01 | 最終更新日: | 2023-09-23 | 識別子(ID): | [2-[[(2~{S})-butan-2-yl]carbamoyl]phenyl]methyl-[(4-carboxy-1,3-benzodioxol-5-yl)methyl]-methyl-azanium |
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![OM3 OM3](https://data.pdbj.org/pdbjplus/data/cc/svg/OM3.svg) | OM3 | 表記: | (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM | 組成式: | C25 H31 N2 O5 | SMILES: | C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4OCOc4c3C(O)=O | InChi: | InChI=1S/C25H30N2O5/c1-27(15-19-11-12-21-23(32-16-31-21)22(19)25(29)30)14-18-9-5-6-10-20(18)24(28)26-13-17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3,(H,26,28)(H,29,30)/p+1 | 定義日: | 2011-07-01 | 最終更新日: | 2023-09-23 | 識別子(ID): | (4-carboxy-1,3-benzodioxol-5-yl)methyl-[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl]-methyl-azanium |
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![ZEM ZEM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZEM.svg) | ZEM | 表記: | 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II) | 組成式: | C34 H32 N4 O5 Zn | SMILES: | CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C | InChi: | InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24 | 別名: | ZN(II)-(20-OXO-PROTOPORPHYRIN IX) | 定義日: | 2002-09-18 | 最終更新日: | 2023-09-23 |
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![YBT YBT](https://data.pdbj.org/pdbjplus/data/cc/svg/YBT.svg) | YBT | 表記: | BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM | 組成式: | C8 H19 N O5 Y | SMILES: | [Y].OCCN(CCO)C(CO)(CO)CO | InChi: | InChI=1S/C8H19NO5.Y/c10-3-1-9(2-4-11)8(5-12,6-13)7-14 | 定義日: | 2002-08-09 | 最終更新日: | 2023-09-23 |
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![NQ0 NQ0](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ0.svg) | NQ0 | 表記: | 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C18 H23 Cl2 N3 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3 | InChi: | InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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![NQ9 NQ9](https://data.pdbj.org/pdbjplus/data/cc/svg/NQ9.svg) | NQ9 | 表記: | N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide | 組成式: | C21 H29 Cl2 N3 O3 | SMILES: | N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl | InChi: | InChI=1S/C21H29Cl2N3O3/c22-13-19(27)25-14-15-7-11-26(12-8-15)20(28)21(9-5-17(24)6-10-21)29-18-3-1-16(23)2-4-18/h1-4,15,17H,5-14,24H2,(H,25,27)/t17-,21+ | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
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![NQL NQL](https://data.pdbj.org/pdbjplus/data/cc/svg/NQL.svg) | NQL | 表記: | 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide | 組成式: | C20 H29 Cl N4 O2 | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3 | InChi: | InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26) | 定義日: | 2022-08-17 | 最終更新日: | 2023-09-23 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide |
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![PTE PTE](https://data.pdbj.org/pdbjplus/data/cc/svg/PTE.svg) | PTE | 表記: | TUNGSTOPTERIN COFACTOR | 組成式: | C20 H29 Mg N10 O14 P2 S4 W | SMILES: | O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[CH]4O[CH]5NC6=C(N[CH]5C(=C4S)S[W])C(=O)NC(=N6)N)C(=C3S)S)C(=O)N1 | InChi: | InChI=1S/2C10H14N5O6PS2.Mg.2H2O.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | 定義日: | 1999-07-08 | 最終更新日: | 2023-09-23 | 識別子(ID): | [[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-6,7-bis(sulfanyl)-3,5,5~{a},8,9~{a},10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl]oxy-[[(5~{a}~{R},8~{R},9~{a}~{R})-2-azanyl-4-oxidanylidene-7-sulfanyl-6-tungsteniosulfanyl-3,5,5~{a},8,9~{a},10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidanyl-phosphoryl]oxy-bis($l^{3}-oxidanyl)magnesium |
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![MYA MYA](https://data.pdbj.org/pdbjplus/data/cc/svg/MYA.svg) | MYA | 表記: | TETRADECANOYL-COA | 組成式: | C35 H62 N7 O17 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC | InChi: | InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1 | 別名: | MYRISTOYL-COA | 定義日: | 2001-04-23 | 最終更新日: | 2023-09-23 | 識別子(ID): | S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name) |
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