| C3G | Name: | 4-nitrophenyl beta-D-glucopyranosiduronic acid | Formula: | C12 H13 N O9 | SMILES: | C(=O)(O)C1C(C(C(C(O1)Oc2ccc([N+](=O)[O-])cc2)O)O)O | InChi: | InChI=1S/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)/t7-,8-,9+,10-,12+/m0/s1 | Synonyms: | 4-nitrophenyl beta-D-glucosiduronic acid | Definition date: | 2017-09-11 | Last modified: | 2020-07-17 | Release date: | 2017-12-20 | Identifier: | 4-nitrophenyl beta-D-glucopyranosiduronic acid |
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| SHB | Name: | methyl beta-D-galactopyranuronate | Formula: | C7 H12 O7 | SMILES: | O=C(OC)C1OC(O)C(O)C(O)C1O | InChi: | InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1 | Definition date: | 2009-01-17 | Last modified: | 2020-07-17 | Identifier: | methyl beta-D-galactopyranuronate |
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| SHD | Name: | alpha-D-altropyranose | Formula: | 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 | Synonyms: | alpha-D-altrose | Definition date: | 2009-01-17 | Last modified: | 2020-07-17 | Identifier: | alpha-D-altropyranose |
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| 05L | Name: | heptyl 1-seleno-beta-D-glucopyranoside | Formula: | C13 H26 O5 Se | SMILES: | [Se](CCCCCCC)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C13H26O5Se/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1 | Synonyms: | heptyl 1-seleno-beta-D-glucoside | Definition date: | 2011-11-29 | Last modified: | 2020-07-17 | Identifier: | heptyl 1-seleno-beta-D-glucopyranoside |
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| SHG | Name: | 2-deoxy-2-fluoro-beta-D-glucopyranose | Formula: | 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 | Synonyms: | 2-deoxy-2-fluoro-beta-D-glucose | Definition date: | 2009-01-17 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-fluoro-beta-D-glucopyranose |
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| C3X | Name: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside | Formula: | C8 H14 O6 | SMILES: | O(CC1OC1)C2OCC(O)C(O)C2O | InChi: | InChI=1S/C8H14O6/c9-5-3-14-8(7(11)6(5)10)13-2-4-1-12-4/h4-11H,1-3H2/t4-,5-,6+,7-,8-/m1/s1 | Synonyms: | 2,3-EPOXYPROPYL-BETA-D-XYLOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | (2R)-oxiran-2-ylmethyl beta-D-xylopyranoside |
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| C4B | Name: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione | Formula: | C9 H13 N3 O8 | SMILES: | O=C1N(C(=O)NC(=O)N1)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C9H13N3O8/c13-1-2-3(14)4(15)5(16)6(20-2)12-8(18)10-7(17)11-9(12)19/h2-6,13-16H,1H2,(H2,10,11,17,18,19)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | 1-beta-D-glucosyl-1,3,5-triazinane-2,4,6-trione | Definition date: | 2007-11-18 | Last modified: | 2020-07-17 | Identifier: | 1-beta-D-glucopyranosyl-1,3,5-triazinane-2,4,6-trione |
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| SIA | Name: | N-acetyl-alpha-neuraminic acid | Formula: | C11 H19 N O9 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1 | Synonyms: | N-acetylneuraminic acid | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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| SID | Name: | methyl 9-S-acetyl-5-acetamido-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Formula: | C14 H23 N O9 S | SMILES: | O=C(SCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(=O)C)C | InChi: | InChI=1S/C14H23NO9S/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)24-12(10)11(20)9(19)5-25-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1 | Synonyms: | methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Definition date: | 2009-07-24 | Last modified: | 2020-07-17 | Identifier: | methyl 9-S-acetyl-5-(acetylamino)-3,5-dideoxy-9-thio-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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| 83Y | Name: | 3-O-sulfo-alpha-L-rhamnopyranose | Formula: | C6 H12 O8 S | SMILES: | C1(OC(C(C(C1O)OS(=O)(=O)O)O)C)O | InChi: | InChI=1S/C6H12O8S/c1-2-3(7)5(14-15(10,11)12)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4+,5+,6+/m0/s1 | Synonyms: | 6-deoxy-3-O-sulfo-alpha-L-mannopyranose | Definition date: | 2017-01-05 | Last modified: | 2020-07-17 | Release date: | 2017-03-29 | Identifier: | 6-deoxy-3-O-sulfo-alpha-L-mannopyranose |
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| OEL | Name: | (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 | Formula: | 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 | Definition date: | 2015-01-12 | Last modified: | 2020-07-17 | Release date: | 2015-02-11 | Identifier: | (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 |
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| WUN | Name: | 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose | Formula: | C13 H18 Cl N O5 | SMILES: | Clc1ccc(cc1)COC2C(OC(O)C(N)C2O)CO | InChi: | InChI=1S/C13H18ClNO5/c14-8-3-1-7(2-4-8)6-19-12-9(5-16)20-13(18)10(15)11(12)17/h1-4,9-13,16-18H,5-6,15H2/t9-,10-,11-,12-,13+/m1/s1 | Synonyms: | (2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4-diol | Definition date: | 2012-07-30 | Last modified: | 2020-07-17 | Release date: | 2013-08-07 | Identifier: | 2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose |
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| SIO | Name: | methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Formula: | C16 H25 N O11 | SMILES: | O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C | InChi: | InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1 | Synonyms: | methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Definition date: | 2008-03-20 | Last modified: | 2020-07-17 | Identifier: | methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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| C4W | Name: | 1-azido-beta-N-acetyl-D-glucosamine | Formula: | C8 H14 N4 O5 | SMILES: | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1N=[N+]=[N-] | InChi: | InChI=1S/C8H14N4O5/c1-3(14)10-5-7(16)6(15)4(2-13)17-8(5)11-12-9/h4-8,13,15-16H,2H2,1H3,(H,10,14)/t4-,5-,6-,7-,8-/m1/s1 | Definition date: | 2017-11-13 | Last modified: | 2020-07-17 | Release date: | 2018-07-11 | Identifier: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-azido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
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| SIZ | Name: | 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose | Formula: | C8 H13 F2 N O6 | SMILES: | OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O | InChi: | InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1 | Synonyms: | N-DIFLUOROACETYL-D-GALACTOSAMINE | Definition date: | 2015-12-14 | Last modified: | 2020-07-17 | Release date: | 2016-03-30 | Identifier: | 2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
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| 07E | Name: | (3S)-3-hydroxybutyl beta-D-xylopyranoside | Formula: | C9 H18 O6 | SMILES: | O(CCC(O)C)C1OCC(O)C(O)C1O | InChi: | InChI=1S/C9H18O6/c1-5(10)2-3-14-9-8(13)7(12)6(11)4-15-9/h5-13H,2-4H2,1H3/t5-,6+,7-,8+,9+/m0/s1 | Synonyms: | (3S)-3-hydroxybutyl beta-D-xyloside | Definition date: | 2011-09-23 | Last modified: | 2020-07-17 | Release date: | 2017-07-12 | Identifier: | (3S)-3-hydroxybutyl beta-D-xylopyranoside |
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| C5X | Name: | 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside | Formula: | C10 H18 O6 | SMILES: | O(CCCC1OC1)C2OCC(O)C(O)C2O | InChi: | InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1 | Synonyms: | 4,5-EPOXYPENTYL-BETA-D-XYLOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside |
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| SLB | Name: | N-acetyl-beta-neuraminic acid | Formula: | C11 H19 N O9 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 | InChi: | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 | Synonyms: | N-acetylneuraminic acid | Definition date: | 2001-04-20 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid |
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| SLM | Name: | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide | Formula: | C11 H20 N2 O8 | SMILES: | O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 | InChi: | InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1 | Synonyms: | SIALYLAMIDE | Definition date: | 2010-11-04 | Last modified: | 2020-07-17 | Identifier: | (2S,4S,5R,6R)-5-(acetylamino)-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxamide
(non-preferred name) |
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| OI7 | Name: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose | Formula: | 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 | Synonyms: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulose | Definition date: | 2010-10-21 | Last modified: | 2020-07-17 | Identifier: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose |
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| SN5 | Name: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose | Formula: | C8 H15 N O5 S | SMILES: | S=C(NC1C(O)C(O)C(OC1O)CO)C | InChi: | InChI=1S/C8H15NO5S/c1-3(15)9-5-7(12)6(11)4(2-10)14-8(5)13/h4-8,10-13H,2H2,1H3,(H,9,15)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | N-ethanethioyl-beta-D-glucosamine | Definition date: | 2009-06-04 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose |
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| SNG | Name: | methyl 2-acetamido-2-deoxy-1-seleno-beta-D-glucopyranoside | Formula: | C9 H17 N O5 Se | SMILES: | O=C(NC1C(O)C(O)C(OC1[Se]C)CO)C | InChi: | InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1 | Synonyms: | METHYL 2-ACETAMIDO-1,2-DIDEOXY-1-SELENO-BETA-D-GLUCOPYRANOSIDE | Definition date: | 2002-12-20 | Last modified: | 2020-07-17 | Identifier: | methyl 2-(acetylamino)-2-deoxy-1-seleno-beta-D-glucopyranoside |
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| X0X | Name: | beta-D-talopyranuronic acid | Formula: | 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 | Synonyms: | beta-D-taluronic acid | Definition date: | 2015-03-30 | Last modified: | 2020-07-17 | Release date: | 2015-12-23 | Identifier: | beta-D-talopyranuronic acid |
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| SOE | Name: | alpha-L-sorbopyranose | Formula: | 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+/m0/s1 | Synonyms: | alpha-L-sorbose | Definition date: | 2010-05-14 | Last modified: | 2020-07-17 | Identifier: | alpha-L-sorbopyranose |
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| 89Y | Name: | (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one | Formula: | C5 H8 O5 | SMILES: | OC1C(=O)OCC1(O)CO | InChi: | InChI=1S/C5H8O5/c6-1-5(9)2-10-4(8)3(5)7/h3,6-7,9H,1-2H2/t3-,5+/m0/s1 | Definition date: | 2017-01-13 | Last modified: | 2020-07-17 | Release date: | 2017-02-01 | Identifier: | (3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-one |
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