| U8V | 表記: | 6-O-butanoyl-alpha-D-glucopyranose | 組成式: | C10 H18 O7 | SMILES: | OC1C(C(O)C(O)C(COC(=O)CCC)O1)O | InChi: | InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1 | 定義日: | 2020-05-04 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 6-O-butanoyl-alpha-D-glucopyranose |
|
| XS2 | 表記: | METHYL4,4II,4III,4IV-TETRATHIO-BETA-D-XYLOPENTOSIDE | 組成式: | C26 H44 O17 S4 | SMILES: | S(C2COC(SC1C(O)C(O)C(OC)OC1)C(O)C2O)C5OCC(SC4OCC(SC3OCC(O)C(O)C3O)C(O)C4O)C(O)C5O | InChi: | InChI=1S/C26H44O17S4/c1-38-22-17(33)13(29)8(3-39-22)44-24-19(35)15(31)10(5-41-24)46-26-21(37)16(32)11(6-43-26)47-25-20(36)14(30)9(4-42-25)45-23-18(34)12(28)7(27)2-40-23/h7-37H,2-6H2,1H3/t7?,8-,9?,10-,11-,12?,13+,14?,15+,16+,17-,18?,19-,20?,21-,22+,23?,24+,25?,26+/m1/s1 | 定義日: | 2004-10-14 | 最終更新日: | 2020-07-17 | 識別子(ID): | methyl pentopyranosyl-(1->4)-4-thiopentopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-beta-D-xylopyranosyl-(1->4)-4-thio-alpha-D-xylopyranoside |
|
| TTZ | 表記: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-
D-glucopyranosylamine | 組成式: | C13 H22 N2 O9 S | SMILES: | OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO | InChi: | InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1 | 別名: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-
D-glucosylamine | 定義日: | 2007-02-07 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha-
D-glucopyranosylamine |
|
| TU4 | 表記: | 3-O-octanoyl-alpha-D-glucopyranose | 組成式: | C14 H26 O7 | SMILES: | C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O | InChi: | InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 3-O-octanoyl-alpha-D-glucopyranose |
|
| U97 | 表記: | 2-O-sulfo-beta-L-galactopyranuronic acid | 組成式: | C6 H10 O10 S | SMILES: | C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O | InChi: | InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1 | 定義日: | 2020-05-04 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 2-O-sulfo-beta-L-galactopyranuronic acid |
|
| U9A | 表記: | [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid | 組成式: | C5 H11 N O11 S2 | SMILES: | C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O | InChi: | InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1 | 定義日: | 2020-05-04 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name) |
|
| U9D | 表記: | 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose | 組成式: | C9 H18 O5 | SMILES: | C1C(OC(C(C1OC)OC)O)COC | InChi: | InChI=1S/C9H18O5/c1-11-5-6-4-7(12-2)8(13-3)9(10)14-6/h6-10H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1 | 定義日: | 2020-05-05 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose |
|
| SMD | 表記: | METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE | 組成式: | C13 H24 O10 S | SMILES: | S(C1C(OC)OC(CO)C(O)C1O)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1 | 定義日: | 2004-09-03 | 最終更新日: | 2020-07-17 | 識別子(ID): | methyl 2-S-alpha-D-mannopyranosyl-2-thio-alpha-D-mannopyranoside |
|
| TUG | 表記: | 3,4-di-O-sulfo-alpha-D-altropyranose | 組成式: | C6 H12 O12 S2 | SMILES: | OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)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: | 2020-03-31 | 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-altropyranose |
|
| U9G | 表記: | 2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose | 組成式: | C8 H16 O9 S | SMILES: | OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O | InChi: | InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1 | 定義日: | 2020-05-05 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose |
|
| TUJ | 表記: | 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose | 組成式: | C6 H12 O18 S4 | SMILES: | OCC1OC(C(C(C1OS(O)(=O)=O)OS(=O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O | InChi: | InChI=1S/C6H12O18S4/c7-1-2-3(21-25(8,9)10)4(22-26(11,12)13)5(23-27(14,15)16)6(20-2)24-28(17,18)19/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4-,5-,6-/m1/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose |
|
| U9J | 表記: | (2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol | 組成式: | C8 H16 O7 | SMILES: | OC1C(OC(C(C1OC)OC)O)C(O)O | InChi: | InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1 | 定義日: | 2020-05-05 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-29 | 識別子(ID): | (2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name) |
|
| S7P | 表記: | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose | 組成式: | C7 H15 O10 P | SMILES: | O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O | InChi: | InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1 | 別名: | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose | 定義日: | 2014-08-28 | 最終更新日: | 2020-07-17 | 公開日: | 2015-08-12 | 識別子(ID): | 1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose |
|
| TGA | 表記: | 2-sulfanylethyl beta-D-galactopyranoside | 組成式: | C8 H16 O6 S | SMILES: | OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1 | 別名: | METHANETHIOSULFONYL-GALACTOSIDE | 定義日: | 2011-01-19 | 最終更新日: | 2020-07-17 | 識別子(ID): | (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol |
|
| 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 |
|
| OAK | 表記: | N-(phenylcarbonyl)-beta-D-glucopyranosylamine | 組成式: | C13 H17 N O6 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2 | InChi: | InChI=1S/C13H17NO6/c15-6-8-9(16)10(17)11(18)13(20-8)14-12(19)7-4-2-1-3-5-7/h1-5,8-11,13,15-18H,6H2,(H,14,19)/t8-,9-,10+,11-,13-/m1/s1 | 別名: | N-(phenylcarbonyl)-beta-D-glucosylamine | 定義日: | 2009-02-05 | 最終更新日: | 2020-07-17 | 識別子(ID): | N-(phenylcarbonyl)-beta-D-glucopyranosylamine |
|
| OBQ | 表記: | (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one | 組成式: | C21 H22 N2 O6 | SMILES: | COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc5OCOc5c(OC)c34 | InChi: | InChI=1S/C21H22N2O6/c1-23-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)17(23)18-11-4-5-12(25-2)16(22)15(11)21(24)29-18/h4-5,8,17-18H,6-7,9,22H2,1-3H3/t17-,18+/m1/s1 | 定義日: | 2020-02-26 | 最終更新日: | 2020-07-17 | 公開日: | 2020-07-22 | 識別子(ID): | (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one |
|
| 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 |
|
| 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 |
|
| OEL | 表記: | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien
-2-ium-1-yl-L-gulonic acid | 組成式: | C13 H20 F N4 O7 | SMILES: | FC1C(N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C(=O)O)C(=O)C(O)CO | InChi: | InChI=1S/C13H19FN4O7/c1-4(2)12(22)16-8-7(17-18-15)6(14)10(13(23)24)25-11(8)9(21)5(20)3-19/h4-8,10-11,15,19-20H,3H2,1-2H3,(H-,16,22,23,24)/p+1/t5-,6-,7-,8+,10-,11+/m0/s1 | 定義日: | 2015-01-12 | 最終更新日: | 2020-07-17 | 公開日: | 2015-02-11 | 識別子(ID): | (6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien
-2-ium-1-yl-L-gulonic acid |
|
| 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 |
|
| 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 |
|
| 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 |
|
| B2G | 表記: | GALACTOBIOSE | 組成式: | C12 H22 O11 | SMILES: | O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11-,12+/m1/s1 | 別名: | BETA-1,4-GALACTOBIOSIDE | 定義日: | 2003-10-23 | 最終更新日: | 2020-07-17 | 識別子(ID): | 4-O-beta-D-galactopyranosyl-beta-D-galactopyranose |
|
| OI7 | 表記: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose | 組成式: | C7 H16 O13 P2 | SMILES: | O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O | InChi: | InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1 | 別名: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulose | 定義日: | 2010-10-21 | 最終更新日: | 2020-07-17 | 識別子(ID): | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose |
|