| ASC | 表記: | ASCORBIC ACID | 組成式: | C6 H8 O6 | SMILES: | O=C1OC(C(O)=C1O)C(O)CO | InChi: | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 | 別名: | Vitamin C | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name) |
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| ASG | 表記: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose | 組成式: | C8 H15 N O9 S | SMILES: | O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO | InChi: | InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1 | 別名: | 2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose |
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| ASO | 表記: | 1,5-anhydro-D-glucitol | 組成式: | C6 H12 O5 | SMILES: | OC1C(OCC(O)C1O)CO | InChi: | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 | 別名: | 1,5-ANHYDROSORBITOL | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | 1,5-anhydro-D-glucitol |
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| AXP | 表記: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol | 組成式: | C10 H20 N O9 P | SMILES: | O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO | InChi: | InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1 | 別名: | 4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE) | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | (1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol |
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| AXR | 表記: | methyl alpha-D-arabinofuranoside | 組成式: | C6 H12 O5 | SMILES: | OC1C(OC(OC)C1O)CO | InChi: | InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1 | 別名: | 1-O-methyl-alpha-D-arabinofuranoside | 定義日: | 2009-06-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | methyl alpha-D-arabinofuranoside |
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| AY9 | 表記: | Ascopyrone M | 組成式: | C6 H8 O4 | SMILES: | O=C1C(O)=CC(OC1)CO | InChi: | InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1 | 定義日: | 2011-11-15 | 最終更新日: | 2020-07-17 | 識別子(ID): | (6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one |
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| AZC | 表記: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine | 組成式: | C9 H16 N2 O7 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C | InChi: | InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1 | 別名: | N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA | 定義日: | 2001-09-21 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine |
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| B0D | 表記: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | 組成式: | C6 H10 F2 O5 | SMILES: | FC1OC(F)(C(O)C(O)C1O)CO | InChi: | InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5+,6+/m1/s1 | 定義日: | 2009-08-18 | 最終更新日: | 2020-07-17 | 識別子(ID): | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
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| B16 | 表記: | 1,6-di-O-phosphono-beta-D-glucopyranose | 組成式: | C6 H14 O12 P2 | SMILES: | O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O | InChi: | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6+/m1/s1 | 別名: | 1,6-di-O-phosphono-beta-D-glucose | 定義日: | 2011-12-06 | 最終更新日: | 2020-07-17 | 識別子(ID): | 1,6-di-O-phosphono-beta-D-glucopyranose |
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| B1H | 表記: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol | 組成式: | C14 H17 N4 O7 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(cc3)[N+](O)=O | InChi: | InChI=1S/C14H17N4O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-15-13(16-17-14)6-1-3-7(4-2-6)18(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,15,16,17)/q+1/t8-,9-,10+,11-,12-/m1/s1 | 別名: | [4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl
]-oxidanyl-oxidanylidene-azanium | 定義日: | 2017-09-05 | 最終更新日: | 2020-07-17 | 公開日: | 2018-02-28 | 識別子(ID): | [4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]phenyl
]-oxidanyl-oxidanylidene-azanium |
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| B1N | 表記: | (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol | 組成式: | C14 H17 N3 O6 | SMILES: | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc(O)cc3 | InChi: | InChI=1S/C14H17N3O6/c18-5-8-9(20)10(21)11(22)12(23-8)14-15-13(16-17-14)6-1-3-7(19)4-2-6/h1-4,8-12,18-22H,5H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1 | 別名: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol | 定義日: | 2017-09-05 | 最終更新日: | 2020-07-17 | 公開日: | 2018-02-28 | 識別子(ID): | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)-1~{H}-1,2,4-triazol-5-yl]oxane-3,4,5-triol |
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| 293 | 表記: | 2-deoxy-beta-L-galacto-heptopyranose | 組成式: | C7 H14 O6 | SMILES: | OC1C(OC(O)CC1O)C(O)CO | InChi: | InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1 | 別名: | (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol | 定義日: | 2007-11-09 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-deoxy-beta-L-galacto-heptopyranose |
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| SZZ | 表記: | Sinigrin | 組成式: | C10 H17 N O9 S2 | SMILES: | OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1 | 定義日: | 2016-11-16 | 最終更新日: | 2020-07-17 | 公開日: | 2017-07-05 | 識別子(ID): | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]
(1~{E})-~{N}-sulfooxybut-3-enimidothioate |
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| 2DG | 表記: | 2-deoxy-alpha-D-galactopyranose | 組成式: | C6 H12 O5 | SMILES: | OC1C(OC(O)CC1O)CO | InChi: | InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6-/m1/s1 | 別名: | 2-deoxy-alpha-D-lyxo-hexopyranose | 定義日: | 2001-10-02 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-deoxy-alpha-D-lyxo-hexopyranose |
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| 2DR | 表記: | 2-deoxy-beta-D-erythro-pentofuranose | 組成式: | C5 H10 O4 | SMILES: | OCC1OC(O)CC1O | InChi: | InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1 | 別名: | 2-deoxy-beta-D-ribofuranose | 定義日: | 2009-07-20 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-deoxy-beta-D-erythro-pentofuranose |
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| 2F8 | 表記: | methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | 組成式: | C9 H17 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1OC)CO)C | InChi: | InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1 | 別名: | methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside | 定義日: | 2013-10-08 | 最終更新日: | 2020-07-17 | 公開日: | 2013-11-20 | 識別子(ID): | methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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| 2FG | 表記: | 2-deoxy-2-fluoro-beta-D-galactopyranose | 組成式: | C6 H11 F O5 | SMILES: | FC1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 | 別名: | 2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE | 定義日: | 2001-10-02 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-deoxy-2-fluoro-beta-D-galactopyranose |
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| 2GL | 表記: | 4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose | 組成式: | C8 H14 O5 | SMILES: | O=C(OC1C(OC(O)CC1O)C)C | InChi: | InChI=1S/C8H14O5/c1-4-8(13-5(2)9)6(10)3-7(11)12-4/h4,6-8,10-11H,3H2,1-2H3/t4-,6-,7-,8+/m1/s1 | 別名: | 4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-GALACTO-HEXOPYRANOSE | 定義日: | 1999-07-08 | 最終更新日: | 2020-07-17 | 識別子(ID): | 4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranose |
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| 2GS | 表記: | 2-O-methyl-alpha-D-galactopyranose | 組成式: | C7 H14 O6 | SMILES: | O(C)C1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C7H14O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1 | 別名: | 2-O-methyl-alpha-D-galactose | 定義日: | 2006-09-26 | 最終更新日: | 2020-07-17 | 識別子(ID): | 2-O-methyl-alpha-D-galactopyranose |
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| 2H5 | 表記: | 3-deoxy-3-fluoro-beta-D-galactopyranose | 組成式: | C6 H11 F O5 | SMILES: | FC1C(O)C(OC(O)C1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 | 別名: | 3-deoxy-3-fluoro-beta-D-galactose | 定義日: | 2013-10-18 | 最終更新日: | 2020-07-17 | 公開日: | 2014-02-05 | 識別子(ID): | 3-deoxy-3-fluoro-beta-D-galactopyranose |
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| T68 | 表記: | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine | 組成式: | C13 H17 N3 O7 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2 | InChi: | InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1 | 別名: | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine | 定義日: | 2012-11-22 | 最終更新日: | 2020-07-17 | 公開日: | 2013-12-11 | 識別子(ID): | N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
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| T6T | 表記: | alpha-D-tagatopyranose | 組成式: | C6 H12 O6 | SMILES: | OC1C(OCC(C1O)O)(CO)O | 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: | alpha-D-tagatose | 定義日: | 2015-07-13 | 最終更新日: | 2020-07-17 | 公開日: | 2015-07-22 | 識別子(ID): | alpha-D-tagatopyranose |
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| TA6 | 表記: | 6-O-phosphono-beta-D-tagatofuranose | 組成式: | C6 H13 O9 P | SMILES: | O=P(O)(O)OCC1OC(O)(CO)C(O)C1O | InChi: | InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1 | 別名: | 6-O-phosphono-beta-D-tagatose | 定義日: | 2006-03-24 | 最終更新日: | 2020-07-17 | 識別子(ID): | 6-O-phosphono-beta-D-tagatofuranose |
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| 2M5 | 表記: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside | 組成式: | C8 H16 O6 | SMILES: | OC1C(O)C(O)C(OC1OC)C(O)C | InChi: | InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1 | 別名: | methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside | 定義日: | 2010-08-16 | 最終更新日: | 2020-07-17 | 識別子(ID): | methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside |
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| 2M8 | 表記: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid | 組成式: | C9 H16 O9 | SMILES: | O=C(O)C(OC1OC(C(O)C(O)C1O)CO)CO | InChi: | InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7+,9-/m1/s1 | 別名: | 2-O-ALPHA-MANNOSYL-D-GLYCERATE | 定義日: | 2011-07-14 | 最終更新日: | 2020-07-17 | 識別子(ID): | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid |
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