| 7E0 | 表記: | trichothecene | 組成式: | C15 H22 O2 | SMILES: | CC1=CC2OC3CCC(C2(CC1)C)(C34CO4)C | InChi: | InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15+/m1/s1 | 別名: | (11beta)-12,13-epoxytrichothec-9-ene | 定義日: | 2016-10-13 | 最終更新日: | 2020-06-17 | 公開日: | 2016-11-02 | 識別子(ID): | (11beta)-12,13-epoxytrichothec-9-ene |
|
| 7E8 | 表記: | (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE | 組成式: | C17 H32 O4 | SMILES: | O=C(OCC(O)CO)CCCCCC=C/CCCCCC | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-/t16-/m1/s1 | 別名: | 7.7 MAG | 定義日: | 2011-03-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate |
|
| 7JG | 表記: | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C20 H12 F2 N2 O2 | SMILES: | Oc1cc(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14 | InChi: | InChI=1S/C20H12F2N2O2/c21-13-5-1-11(2-6-13)15-9-16(25)19-18(20(26)24-10-23-19)17(15)12-3-7-14(22)8-4-12/h1-10,25H,(H,23,24,26) | 別名: | 5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
|
| 7JJ | 表記: | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C14 H8 Cl F N2 O2 | SMILES: | Oc1cc(c(Cl)c2C(=O)NC=Nc12)c3ccc(F)cc3 | InChi: | InChI=1S/C14H8ClFN2O2/c15-12-9(7-1-3-8(16)4-2-7)5-10(19)13-11(12)14(20)18-6-17-13/h1-6,19H,(H,17,18,20) | 別名: | 5-chloro-6-(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 5-chloranyl-6-(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one |
|
| 7JK | 表記: | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C19 H20 N4 O3 S | SMILES: | CN1CCN(CC1)C(=O)c2sc(c(C)c2)c3cc(O)c4N=CNC(=O)c4c3 | InChi: | InChI=1S/C19H20N4O3S/c1-11-7-15(19(26)23-5-3-22(2)4-6-23)27-17(11)12-8-13-16(14(24)9-12)20-10-21-18(13)25/h7-10,24H,3-6H2,1-2H3,(H,20,21,25) | 別名: | 8-hydroxy-6-[3-methyl-5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 6-[3-methyl-5-(4-methylpiperazin-1-yl)carbonyl-thiophen-2-yl]-8-oxidanyl-3~{H}-quinazolin-4-one |
|
| 7JL | 表記: | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one | 組成式: | C8 H5 Br N2 O2 | SMILES: | Oc1cc(Br)cc2C(=O)NC=Nc12 | InChi: | InChI=1S/C8H5BrN2O2/c9-4-1-5-7(6(12)2-4)10-3-11-8(5)13/h1-3,12H,(H,10,11,13) | 別名: | 6-bromo-8-hydroxy-3H-quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 6-bromanyl-8-oxidanyl-3~{H}-quinazolin-4-one |
|
| 7JP | 表記: | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | 組成式: | C26 H23 F N4 O2 | SMILES: | Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5 | InChi: | InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2 | 別名: | 6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one |
|
| 7JR | 表記: | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one | 組成式: | C12 H11 N O2 | SMILES: | CN1C=C(C=C(O)C1=O)c2ccccc2 | InChi: | InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3 | 別名: | 3-hydroxy-1-methyl-5-phenylpyridin-2-one | 定義日: | 2016-11-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-11-22 | 識別子(ID): | 1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one |
|
| 7KP | 表記: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4
,5-triol | 組成式: | C20 H22 O8 | SMILES: | OC[CH]1O[CH](Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20+/m1/s1 | 別名: | glycosylated resveratrol | 定義日: | 2016-11-05 | 最終更新日: | 2020-06-17 | 公開日: | 2017-12-20 | 識別子(ID): | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[3-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol |
|
| 7LB | 表記: | (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine | 組成式: | C17 H20 N2 O | SMILES: | CNC(C[C@H]=Cc1cncc(c1)Oc2ccccc2)C | InChi: | InChI=1S/C17H20N2O/c1-14(18-2)7-6-8-15-11-17(13-19-12-15)20-16-9-4-3-5-10-16/h3-6,8-14,18H,7H2,1-2H3/b8-6+/t14-/m0/s1 | 別名: | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine | 定義日: | 2016-11-09 | 最終更新日: | 2020-06-17 | 公開日: | 2016-11-30 | 識別子(ID): | (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine |
|
| 7MI | 表記: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)
-5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate | 組成式: | C26 H34 O8 | SMILES: | COC(=O)[C]1(C)OC(=O)[CH]2[C]3(C)[CH](O)C(=O)[CH]4C(C)(C)C(=O)CC[C]4(C)[CH]3CC(=C)[C]2(C)C1=O | InChi: | InChI=1S/C26H34O8/c1-12-11-13-23(4)10-9-14(27)22(2,3)16(23)15(28)18(29)25(13,6)17-19(30)34-26(7,21(32)33-8)20(31)24(12,17)5/h13,16-18,29H,1,9-11H2,2-8H3/t13-,16+,17-,18+,23-,24+,25-,26-/m0/s1 | 別名: | methyl
(2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,6,8-tetraoxohexadecahydro-2H-n
aphtho[1,2-h]isochromene-2-carboxylate | 定義日: | 2016-12-06 | 最終更新日: | 2020-06-17 | 公開日: | 2017-07-26 | 識別子(ID): | methyl (2~{S},4~{a}~{R},4~{b}~{S},5~{S},6~{a}~{S},10~{a}~{S},10~{b}~{S},12~{a}~{S})-2,4~{b},7,7,10~{a},12~{a}-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-5,6~{a},9,10,10~{b},11-hexahydro-4~{a}~{H}-naphtho[1,2-h]isochromene-2-carboxylate |
|
| 7PT | 表記: | pentalenolactone | 組成式: | C15 H16 O5 | SMILES: | C1(C4C3(C=C1C)C2(OC2)C(=O)OCC3C(=C4)C(O)=O)C | InChi: | InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1 | 別名: | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9
'-carboxylic acid | 定義日: | 2016-08-04 | 最終更新日: | 2020-06-17 | 公開日: | 2016-09-14 | 識別子(ID): | (2R,4a'S,7'S,7a'R,9a'R)-6',7'-dimethyl-3'-oxo-1',7',7a',9a'-tetrahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
|
| 7RS | 表記: | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide | 組成式: | C20 H24 F2 N4 O | SMILES: | C3N(Cc1cc(c(C)cc1)NC(=O)CNc2ccc(c(c2)F)F)CCNC3 | InChi: | InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27) | 別名: | antagonist GW791343 | 定義日: | 2016-12-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-01-04 | 識別子(ID): | N~2~-(3,4-difluorophenyl)-N-{2-methyl-5-[(piperazin-1-yl)methyl]phenyl}glycinamide |
|
| 7RV | 表記: | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide | 組成式: | C28 H32 N4 O2 S | SMILES: | C1COCCC1(CNC(=O)c2cccnc2Sc3ccccc3)N4CCN(CC4)c5ccccc5 | InChi: | InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33) | 別名: | antagonist JNJ47965567 | 定義日: | 2016-12-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-01-04 | 識別子(ID): | N-{[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl}-2-(phenylsulfanyl)pyridine-3-carboxamide |
|
| 7RY | 表記: | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide | 組成式: | C25 H34 N4 O2 | SMILES: | C(Nc5ccc1c(cccc1NC(CC43CC2CC(CC(C2)C3)C4)=O)n5)CNCCO | InChi: | InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31)/t17-,18+,19-,25- | 別名: | antagonist AZ10606120 | 定義日: | 2016-12-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-01-04 | 識別子(ID): | N-[2-({2-[(2-hydroxyethyl)amino]ethyl}amino)quinolin-5-yl]-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetamide |
|
| 7WF | 表記: | 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid | 組成式: | C10 H22 N2 O8 S2 | SMILES: | O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O | InChi: | InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1 | 別名: | POPSO | 定義日: | 2017-01-25 | 最終更新日: | 2020-06-17 | 公開日: | 2017-04-12 | 識別子(ID): | 2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid |
|
| 7YP | 表記: | (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami
de | 組成式: | C19 H23 N3 O5 | SMILES: | CO[CH](C(=O)NCc1ccc(CN)cc1OCC(N)=O)c2ccc(O)cc2 | InChi: | InChI=1S/C19H23N3O5/c1-26-18(13-4-6-15(23)7-5-13)19(25)22-10-14-3-2-12(9-20)8-16(14)27-11-17(21)24/h2-8,18,23H,9-11,20H2,1H3,(H2,21,24)(H,22,25)/t18-/m0/s1 | 別名: | N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide | 定義日: | 2016-12-13 | 最終更新日: | 2020-06-17 | 公開日: | 2017-06-21 | 識別子(ID): | (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanamide |
|
| 7ZU | 表記: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr
o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | 組成式: | C28 H44 O3 | SMILES: | C[CH](C=C[CH](C)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1 | 別名: | 1,25-dihydroxyvitamin D2 | 定義日: | 2017-02-28 | 最終更新日: | 2020-06-17 | 公開日: | 2017-05-10 | 識別子(ID): | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(~{E},2~{R},5~{S})-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
|
| 7ZV | 表記: | 5-hydroxydiclofenac | 組成式: | C14 H11 Cl2 N O3 | SMILES: | OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl | InChi: | InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20) | 別名: | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid | 定義日: | 2016-12-13 | 最終更新日: | 2020-06-17 | 公開日: | 2017-02-08 | 識別子(ID): | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid |
|
| 803 | 表記: | LOVASTATIN | 組成式: | C24 H36 O5 | SMILES: | O=C(OC1C3C(=CC(C)C1)C=CC(C3CCC2OC(=O)CC(O)C2)C)C(C)CC | InChi: | InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | 別名: | MK-803 | 定義日: | 1999-08-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
|
| 808 | 表記: | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide | 組成式: | C18 H20 F3 N O3 S | SMILES: | FC(F)(F)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3 | InChi: | InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1 | 別名: | (S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide | 定義日: | 2010-11-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
|
| 817 | 表記: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE | 組成式: | C10 H11 F3 N4 S | SMILES: | FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N | InChi: | InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17) | 別名: | 3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | 定義日: | 2005-08-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(trifluoromethyl)benzyl N-carbamimidoylimidothiocarbamate |
|
| 1FV | 表記: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide | 組成式: | C26 H36 N6 O2 | SMILES: | O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5 | InChi: | InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31) | 別名: | MRT67307 | 定義日: | 2013-01-18 | 最終更新日: | 2020-06-17 | 公開日: | 2013-03-06 | 識別子(ID): | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide |
|
| 1GA | 表記: | Geraniline | 組成式: | C16 H21 N | SMILES: | C2=C(CCC=C(CNc1ccc(cc1)C2)C)C | InChi: | InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+ | 別名: | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene | 定義日: | 2012-01-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene |
|
| 1JB | 表記: | [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | 組成式: | C16 H26 N2 O15 P2 | SMILES: | O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C | InChi: | InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1 | 別名: | dTDP-fucose | 定義日: | 2013-02-14 | 最終更新日: | 2020-06-17 | 公開日: | 2013-05-22 | 識別子(ID): | [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|