 | | B13 | | 表記: | 5-HYDROXYBENZIMIDAZOLYLCOB(III)AMIDE | | 組成式: | C60 H88 Co N13 O15 P | | SMILES: | C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2N3[CH]1C(=C4[CH](CCC(N)=O)C(C)(C)[CH]5C=C6[CH](CCC(N)=O)[C](C)(CC(N)=O)C7=C(C)[CH]8[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]2(C)N8[Co]3(N45)N67)C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)ccc%10%11 | | InChi: | InChI=1S/C60H88N13O15P.Co/c1-28(87-89(84,85)88-51-39(26-74)86-55(50(51)83)73-27-68-37-20-31(75)10-14-38(37)73)25-67-47(82)18-19-57(6)35(21-44(64)79)54-60(9)59(8,24-46(66)81)34(13-17-43(63)78)49(72-60)30(3)53-58(7,23-45(65)80)32(11-15-41(61)76)36(69-53)22-40-56(4,5)33(12-16-42(62)77)48(70-40)29(2)52(57)71-54 | | 定義日: | 2006-08-24 | | 最終更新日: | 2011-06-04 |
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 | | SHR | | 表記: | N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID | | 組成式: | C11 H20 N2 O6 | | SMILES: | O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1 | | 定義日: | 2000-07-31 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid |
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 | | CAA | | 表記: | ACETOACETYL-COENZYME A | | 組成式: | C25 H40 N7 O18 P3 S | | SMILES: | O=C(C)CC(=O)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 | | InChi: | InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 3-oxobutanethioate (non-preferred name) |
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 | | K32 | | 表記: | 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE | | 組成式: | C7 H2 Br4 N2 O | | SMILES: | Brc1c2c(c(Br)c(Br)c1Br)NC(=O)N2 | | InChi: | InChI=1S/C7H2Br4N2O/c8-1-2(9)4(11)6-5(3(1)10)12-7(14)13-6/h(H2,12,13,14) | | 定義日: | 2007-02-21 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one |
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 | | GE2 | | 表記: | 3,5-DIAMINO-CYCLOHEXANOL | | 組成式: | C6 H14 N2 O | | SMILES: | OC1CC(N)CC(N)C1 | | InChi: | InChI=1S/C6H14N2O/c7-4-1-5(8)3-6(9)2-4/h4-6,9H,1-3,7-8H2/t4-,5+,6- | | 定義日: | 1999-08-04 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (1s,3R,5S)-3,5-diaminocyclohexanol |
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 | | HBD | | 表記: | 4-HYDROXYBENZAMIDE | | 組成式: | C7 H7 N O2 | | SMILES: | O=C(c1ccc(O)cc1)N | | InChi: | InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10) | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-hydroxybenzamide |
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 | | 208 | | 表記: | (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID | | 組成式: | C24 H23 Cl N2 O4 | | SMILES: | O=C(O)C(OCC)Cc1cc2c(cc1)n(cc2)Cc3nc(oc3C)c4c(Cl)cccc4 | | InChi: | InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1 | | 定義日: | 2006-05-11 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid |
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