| B6D | 表記: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose | 組成式: | C10 H18 N2 O5 | SMILES: | O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C | InChi: | InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1 | 別名: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose | 定義日: | 2008-05-01 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose |
|
| B7G | 表記: | heptyl beta-D-glucopyranoside | 組成式: | C13 H26 O6 | SMILES: | O(CCCCCCC)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1 | 別名: | HEPTYL-BETA-D-GLUCOPYRANOSIDE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | heptyl beta-D-glucopyranoside |
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| V3M | 表記: | 2-deoxy-2-fluoro-alpha-D-arabinofuranose | 組成式: | C5 H9 F O4 | SMILES: | OC1OC(CO)C(C1F)O | InChi: | InChI=1S/C5H9FO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3+,4-,5+/m1/s1 | 定義日: | 2020-06-20 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-01 | 識別子(ID): | 2-deoxy-2-fluoro-alpha-D-arabinofuranose |
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| V3P | 表記: | 4-iodophenyl 1,4-dithio-beta-D-glucopyranoside | 組成式: | C12 H15 I O4 S2 | SMILES: | C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S | InChi: | InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1 | 定義日: | 2020-06-21 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-01 | 識別子(ID): | 4-iodophenyl 1,4-dithio-beta-D-glucopyranoside |
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| B8D | 表記: | 4-O-methyl-alpha-D-glucopyranose | 組成式: | C7 H14 O6 | SMILES: | OC1C(OC)C(OC(O)C1O)CO | InChi: | InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1 | 別名: | 4-O-methyl-alpha-D-glucose | 定義日: | 2009-08-18 | 最終更新日: | 2020-07-17 | 識別子(ID): | 4-O-methyl-alpha-D-glucopyranose |
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| B9D | 表記: | 5-fluoro-alpha-L-idopyranose | 組成式: | C6 H11 F O6 | SMILES: | FC1(OC(O)C(O)C(O)C1O)CO | InChi: | InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1 | 別名: | (2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | 定義日: | 2009-08-18 | 最終更新日: | 2020-07-17 | 識別子(ID): | (2R,3R,4R,5S,6R)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) |
|
| V71 | 表記: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside | 組成式: | C12 H25 F N4 O5 | SMILES: | C1(C(C(O)C(C(CN)O1)F)N)OC2C(C(O)C(N)CC2N)O | InChi: | InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6+,7-,8+,9+,10-,11-,12-/m1/s1 | 別名: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactoside | 定義日: | 2015-06-17 | 最終更新日: | 2020-07-17 | 公開日: | 2016-06-22 | 識別子(ID): | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside |
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| BBK | 表記: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose | 組成式: | C8 H15 N O5 S | SMILES: | C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O | InChi: | InChI=1S/C8H15NO5S/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 | 別名: | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose | 定義日: | 2014-04-30 | 最終更新日: | 2020-07-17 | 公開日: | 2014-05-28 | 識別子(ID): | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose |
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| BBV | 表記: | benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | 組成式: | C15 H21 N O6 | SMILES: | O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C | InChi: | InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1 | 別名: | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside | 定義日: | 2012-04-09 | 最終更新日: | 2020-07-17 | 識別子(ID): | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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| BDF | 表記: | beta-D-fructopyranose | 組成式: | C6 H12 O6 | SMILES: | OC1C(O)(OCC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 | 別名: | beta-D-fructose | 定義日: | 2002-11-01 | 最終更新日: | 2020-07-17 | 識別子(ID): | beta-D-fructopyranose |
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| BDG | 表記: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose | 組成式: | C6 H14 N2 O4 | SMILES: | OC1C(O)C(OC(O)C1N)CN | InChi: | InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5-,6+/m1/s1 | 別名: | O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose |
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| BDP | 表記: | beta-D-glucopyranuronic acid | 組成式: | C6 H10 O7 | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1 | 別名: | beta-D-glucuronic acid | 定義日: | 2001-11-26 | 最終更新日: | 2020-07-17 | 識別子(ID): | beta-D-glucopyranuronic acid |
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| BDR | 表記: | beta-D-ribofuranose | 組成式: | C5 H10 O5 | SMILES: | OC1C(OC(O)C1O)CO | InChi: | InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1 | 別名: | beta-D-ribose | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | beta-D-ribofuranose |
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| BEM | 表記: | beta-D-mannopyranuronic acid | 組成式: | C6 H10 O7 | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1 | 別名: | beta-D-mannuronic acid | 定義日: | 2007-11-05 | 最終更新日: | 2020-07-17 | 識別子(ID): | beta-D-mannopyranuronic acid |
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| BFN | 表記: | 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | 組成式: | C18 H23 F N2 O9 | SMILES: | O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C | InChi: | InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1 | 別名: | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | 定義日: | 2007-11-07 | 最終更新日: | 2020-07-17 | 識別子(ID): | 5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
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| BG6 | 表記: | 6-O-phosphono-beta-D-glucopyranose | 組成式: | C6 H13 O9 P | SMILES: | O=P(O)(O)OCC1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | 別名: | BETA-D-GLUCOSE-6-PHOSPHATE | 定義日: | 2000-08-29 | 最終更新日: | 2020-07-17 | 識別子(ID): | 6-O-phosphono-beta-D-glucopyranose |
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| BG8 | 表記: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose | 組成式: | C13 H17 N O6 | SMILES: | C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O | InChi: | InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1 | 別名: | N-benzoyl-beta-D-glucosamine | 定義日: | 2015-06-02 | 最終更新日: | 2020-07-17 | 公開日: | 2015-06-17 | 識別子(ID): | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose |
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| BGC | 表記: | beta-D-glucopyranose | 組成式: | C6 H12 O6 | SMILES: | OC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 | 別名: | beta-D-glucose | 定義日: | 2002-01-22 | 最終更新日: | 2020-07-17 | 識別子(ID): | beta-D-glucopyranose |
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| 5KQ | 表記: | (6R)-5-acetamido-6-[(1S,2S)-3-acetamido-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid | 組成式: | C13 H22 N2 O9 | SMILES: | CC(=O)NC1C(OC(CC1O)(O)C(O)=O)C(O)C(CNC(=O)C)O | InChi: | InChI=1S/C13H22N2O9/c1-5(16)14-4-8(19)10(20)11-9(15-6(2)17)7(18)3-13(23,24-11)12(21)22/h7-11,18-20,23H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8-,9+,10-,11+,13+/m0/s1 | 別名: | (6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic
acid | 定義日: | 2015-10-14 | 最終更新日: | 2020-07-17 | 公開日: | 2016-03-23 | 識別子(ID): | (6R)-5-(acetylamino)-6-[(1S,2S)-3-(acetylamino)-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic
acid |
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| 5KV | 表記: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose | 組成式: | C6 H13 N O11 S2 | SMILES: | OC1C(C(C(OC1COS(=O)(O)=O)O)NS(O)(=O)=O)O | InChi: | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6-/m1/s1 | 別名: | 6-O-sulfo-N-sulfo-beta-D-glucosamine | 定義日: | 2015-10-15 | 最終更新日: | 2020-07-17 | 公開日: | 2015-11-18 | 識別子(ID): | 2-deoxy-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose |
|
| 5L2 | 表記: | methyl
(2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb
oxylate | 組成式: | C14 H24 N2 O13 S2 | SMILES: | C1(C(C(C(C(COC(=O)C)O1)O)O)O)S(=O)(=O)N2CC(OS(=O)(=O)N)CC2C(=O)OC | InChi: | InChI=1S/C14H24N2O13S2/c1-6(17)27-5-9-10(18)11(19)12(20)14(28-9)30(22,23)16-4-7(29-31(15,24)25)3-8(16)13(21)26-2/h7-12,14,18-20H,3-5H2,1-2H3,(H2,15,24,25)/t7-,8+,9+,10-,11-,12-,14+/m1/s1 | 定義日: | 2015-10-16 | 最終更新日: | 2020-07-17 | 公開日: | 2015-10-28 | 識別子(ID): | methyl
(2S,4R)-1-({(2S,3R,4R,5S,6S)-6-[(acetyloxy)methyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}sulfonyl)-4-(sulfamoyloxy)py
rrolidine-2-carboxylate (non-preferred name) |
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| 5L3 | 表記: | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol | 組成式: | C13 H24 N2 O11 S2 | SMILES: | C1(C(OC(C)=O)C(O)C(C(CO)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N | InChi: | InChI=1S/C13H24N2O11S2/c1-7(17)24-12-11(19)10(18)9(6-16)25-13(12)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,16,18-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1 | 定義日: | 2015-10-16 | 最終更新日: | 2020-07-17 | 公開日: | 2015-10-28 | 識別子(ID): | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
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| 5LS | 表記: | 2,4-di-O-sulfo-alpha-D-glucopyranose | 組成式: | C6 H12 O12 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O | InChi: | InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)3(8)5(6(9)16-2)18-20(13,14)15/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-,6+/m1/s1 | 別名: | [(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate | 定義日: | 2015-10-20 | 最終更新日: | 2020-07-17 | 公開日: | 2016-11-02 | 識別子(ID): | [(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-4,6-bis(oxidanyl)-5-sulfooxy-oxan-3-yl] hydrogen sulfate |
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| 5LT | 表記: | 3,4-di-O-sulfo-alpha-D-glucopyranose | 組成式: | C6 H12 O12 S2 | SMILES: | C1(OC(C(C(C1O)OS(=O)(=O)O)OS(=O)(=O)O)CO)O | InChi: | InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3-,4-,5-,6+/m1/s1 | 定義日: | 2015-10-20 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 3,4-di-O-sulfo-alpha-D-glucopyranose |
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| 5N6 | 表記: | 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | 組成式: | C13 H21 N O10 | SMILES: | CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)COC(C)=O)C(O)=O | InChi: | InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1 | 別名: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca
rboxylic acid | 定義日: | 2015-10-27 | 最終更新日: | 2020-07-17 | 公開日: | 2016-03-23 | 識別子(ID): | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca
rboxylic acid |
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