| KDE | Name: | prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid | Formula: | C11 H18 O8 | SMILES: | O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1 | InChi: | InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7+,8-,9-,11-/m1/s1 | Synonyms: | ALPHA-7-EPI-(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL | Definition date: | 2008-01-18 | Last modified: | 2020-07-17 | Identifier: | prop-2-en-1-yl 3-deoxy-beta-L-gulo-oct-2-ulopyranosidonic acid |
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| KDM | Name: | deamino-alpha-neuraminic acid | Formula: | C9 H16 O9 | SMILES: | OC[CH](O)[CH](O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1 | Synonyms: | alpha-deaminoneuraminic acid | Definition date: | 2010-11-26 | Last modified: | 2020-07-17 | Identifier: | (2R,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
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| KDN | Name: | deamino-beta-neuraminic acid | Formula: | C9 H16 O9 | SMILES: | O=C(O)C1(O)OC(C(O)C(O)CO)C(O)C(O)C1 | InChi: | InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1 | Synonyms: | beta-deaminoneuraminic acid | Definition date: | 2008-09-18 | Last modified: | 2020-07-17 | Identifier: | 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid |
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| KDO | Name: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid | Formula: | C8 H14 O8 | SMILES: | O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1 | InChi: | InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1 | Synonyms: | 3-deoxy-d-manno-oct-2-ulopyranosonic acid | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid |
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| KDR | Name: | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside | Formula: | C11 H18 O7 | SMILES: | O=CC1(OCC=C)OC(C(O)CO)C(O)C(O)C1 | InChi: | InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1 | Synonyms: | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside | Definition date: | 2008-01-14 | Last modified: | 2020-07-17 | Identifier: | prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside |
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| KFN | Name: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid | Formula: | C9 H14 O8 | SMILES: | OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1 | Synonyms: | (4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID | Definition date: | 2010-11-26 | Last modified: | 2020-07-17 | Identifier: | (4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid |
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| KG1 | Name: | propadienyl 6-deoxy-alpha-L-galactopyranoside | Formula: | C9 H14 O5 | SMILES: | C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1 | Synonyms: | propargyl-fucoside | Definition date: | 2017-12-04 | Last modified: | 2020-07-17 | Release date: | 2018-01-31 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol |
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| KGM | Name: | heptyl alpha-D-mannopyranoside | Formula: | 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 | Synonyms: | Heptyl Alpha-D-mannopyrannoside | Definition date: | 2013-06-23 | Last modified: | 2020-07-17 | Release date: | 2014-02-12 | Identifier: | heptyl alpha-D-mannopyranoside |
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| KHP | Name: | 4-nitrophenyl alpha-L-arabinofuranoside | Formula: | C11 H13 N O7 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2 | InChi: | InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1 | Synonyms: | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL | Definition date: | 2003-09-12 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl alpha-L-arabinofuranoside |
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| FMO | Name: | 2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride | Formula: | C12 H19 F3 O9 | SMILES: | FC2(F)C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2F)CO | InChi: | InChI=1S/C12H19F3O9/c13-11-12(14,15)9(21)8(4(2-17)23-11)24-10-7(20)6(19)5(18)3(1-16)22-10/h3-11,16-21H,1-2H2/t3-,4-,5-,6+,7-,8-,9+,10-,11+/m1/s1 | Synonyms: | 1,2,2-trifluoromaltose | Definition date: | 2014-07-24 | Last modified: | 2020-07-17 | Release date: | 2015-07-22 | Identifier: | 2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride |
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| FNG | Name: | 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside | Formula: | C13 H16 N2 O9 | SMILES: | [O-][N+](=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N)c2 | InChi: | InChI=1S/C13H16N2O9/c14-12(20)5-1-6(15(21)22)3-7(2-5)23-13-11(19)10(18)9(17)8(4-16)24-13/h1-3,8-11,13,16-19H,4H2,(H2,14,20)/t8-,9+,10+,11-,13+/m1/s1 | Synonyms: | 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE | Definition date: | 2002-05-09 | Last modified: | 2020-07-17 | Identifier: | 3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide |
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| FNY | Name: | 1-FRUCTOFURANOSYL-D-NYSTOSE | Formula: | C30 H52 O26 | SMILES: | OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO[C]5(CO)O[CH](CO)[CH](O)[CH]5O)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C30H52O26/c31-1-10-15(37)20(42)21(43)26(51-10)56-30(25(47)19(41)14(5-35)55-30)9-50-29(24(46)18(40)13(4-34)54-29)8-49-28(23(45)17(39)12(3-33)53-28)7-48-27(6-36)22(44)16(38)11(2-32)52-27/h10-26,31-47H,1-9H2/t10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30-/m0/s1 | Definition date: | 2016-06-10 | Last modified: | 2020-07-17 | Release date: | 2017-01-18 | Identifier: | (2R,3R,4R,5S,6S)-2-[(2S,3R,4R,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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| FSA | Name: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose | Formula: | C8 H14 O7 S | SMILES: | O=C(O)CSCC1(O)OCC(O)C(O)C1O | InChi: | InChI=1S/C8H14O7S/c9-4-1-15-8(14,7(13)6(4)12)3-16-2-5(10)11/h4,6-7,9,12-14H,1-3H2,(H,10,11)/t4-,6-,7+,8-/m1/s1 | Synonyms: | 1-S-(carboxymethyl)-1-thio-beta-D-fructose | Definition date: | 2008-06-24 | Last modified: | 2020-07-17 | Identifier: | 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose |
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| FSI | Name: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Formula: | C11 H18 F N O9 | SMILES: | O=C(O)C1(O)OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO | InChi: | InChI=1S/C11H18FNO9/c1-3(15)13-5-7(18)9(12)11(21,10(19)20)22-8(5)6(17)4(16)2-14/h4-9,14,16-18,21H,2H2,1H3,(H,13,15)(H,19,20)/t4-,5-,6-,7-,8-,9-,11+/m1/s1 | Synonyms: | 5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid | Definition date: | 2004-01-19 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid |
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| FSM | Name: | FORSMANN ANTIGEN | Formula: | C16 H28 N2 O11 | SMILES: | O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)C(OC2O)CO)C | InChi: | InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12+,13-,14-,15-,16-/m1/s1 | Synonyms: | 2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE | Definition date: | 2006-10-19 | Last modified: | 2020-07-17 | Identifier: | 2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-2-deoxy-beta-D-galactopyranose |
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| FSR | Name: | (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic
acid | Formula: | C11 H17 F2 N O8 | SMILES: | FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)O | InChi: | InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5+,6-,7+,8+,9-,11+/m0/s1 | Synonyms: | 2,3-difluorosialic acid | Definition date: | 2013-10-28 | Last modified: | 2020-07-17 | Release date: | 2013-12-25 | Identifier: | (2R,3S,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy
lic acid (non-preferred name) |
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| 0HX | Name: | pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | Formula: | C13 H21 N O6 | SMILES: | CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O | InChi: | InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1 | Synonyms: | pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | Definition date: | 2012-01-19 | Last modified: | 2020-07-17 | Release date: | 2013-02-08 | Identifier: | (2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
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| FVQ | Name: | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside | Formula: | C14 H17 N O6 | SMILES: | C(#Cc1cccnc1)COC2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C14H17NO6/c16-8-10-11(17)12(18)13(19)14(21-10)20-6-2-4-9-3-1-5-15-7-9/h1,3,5,7,10-14,16-19H,6,8H2/t10-,11-,12+,13+,14+/m1/s1 | Synonyms: | 3-pyridin-3-ylprop-2-yn-1-yl alpha-D-mannopyranoside | Definition date: | 2012-05-23 | Last modified: | 2020-07-17 | Identifier: | 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside |
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| 0LP | Name: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid | Formula: | C20 H25 N O8 | SMILES: | CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2 | InChi: | InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1 | Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid | Definition date: | 2012-08-16 | Last modified: | 2020-07-17 | Release date: | 2012-09-21 | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid |
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| FYJ | Name: | phenyl 1-thio-beta-D-glucopyranosiduronic acid | Formula: | C12 H14 O6 S | SMILES: | C(C1OC(C(C(C1O)O)O)Sc2ccccc2)(=O)O | InChi: | InChI=1S/C12H14O6S/c13-7-8(14)10(11(16)17)18-12(9(7)15)19-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1 | Synonyms: | phenyl 1-thio-beta-D-glucosiduronic acid | Definition date: | 2018-04-25 | Last modified: | 2020-07-17 | Release date: | 2018-10-17 | Identifier: | phenyl 1-thio-beta-D-glucopyranosiduronic acid |
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| 0NZ | Name: | 2-deoxy-6-O-phosphono-beta-D-glucopyranose | Formula: | C6 H13 O8 P | SMILES: | O=P(O)(O)OCC1OC(O)CC(O)C1O | InChi: | InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1 | Synonyms: | 2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose | Definition date: | 2012-08-17 | Last modified: | 2020-07-17 | Release date: | 2013-06-12 | Identifier: | 2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose |
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| G0S | Name: | 3-(beta-D-galactopyranosylthio)propanoic acid | Formula: | C9 H16 O7 S | SMILES: | O=C(O)CCSC1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1 | Synonyms: | 3-(beta-D-galactosylthio)propanoic acid | Definition date: | 2011-08-23 | Last modified: | 2020-07-17 | Identifier: | 3-(beta-D-galactopyranosylthio)propanoic acid |
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| G16 | Name: | 1,6-di-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H13 O12 P2 | SMILES: | O=P([O-])(OC1OC(C(O)C(O)C1O)COP(=O)(O)O)O | 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)/p-1/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE | Definition date: | 1999-08-11 | Last modified: | 2020-07-17 | Identifier: | 1-O-(hydroxyphosphinato)-6-O-phosphono-alpha-D-glucopyranose |
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| I57 | Name: | 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en
onic acid | Formula: | C21 H26 N4 O7 | SMILES: | CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO | InChi: | InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1 | Synonyms: | (2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro
pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid | Definition date: | 2016-07-21 | Last modified: | 2020-07-17 | Release date: | 2017-07-12 | Identifier: | (2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro
pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
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| 0TS | Name: | beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyrano
syl-(1->4)-1-thio-beta-D-glucopyranose | Formula: | C30 H52 O23 S3 | SMILES: | S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO | InChi: | InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+/m1/s1 | Synonyms: | hemithiocellodextrin | Definition date: | 2012-06-08 | Last modified: | 2020-07-17 | Identifier: | beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranose |
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