| PUF | Name: | 6-deoxy-alpha-L-psicofuranose | Formula: | C6 H12 O5 | SMILES: | C(O)C1(C(C(O)C(O1)C)O)O | InChi: | InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5-,6+/m0/s1 | Synonyms: | 6-deoxy-alpha-L-psicose | Definition date: | 2015-03-30 | Last modified: | 2020-07-17 | Release date: | 2016-03-23 | Identifier: | 6-deoxy-alpha-L-psicofuranose |
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| 6GP | Name: | N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine | Formula: | C9 H15 N O8 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC | InChi: | InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1 | Synonyms: | METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE | Definition date: | 2006-01-25 | Last modified: | 2020-07-17 | Identifier: | N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine |
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| 6GR | Name: | 2-(alpha-L-altropyranosyloxy)benzoic acid | Formula: | C13 H16 O8 | SMILES: | C2(O)C(O)C(Oc1c(C(=O)O)cccc1)OC(C2O)CO | InChi: | InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10-,11+,13+/m0/s1 | Synonyms: | 2-(alpha-L-altrosyloxy)benzoic acid | Definition date: | 2016-04-07 | Last modified: | 2020-07-17 | Release date: | 2019-10-09 | Identifier: | 2-(alpha-L-altropyranosyloxy)benzoic acid |
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| PZU | Name: | alpha-D-Paratopyranose | Formula: | C6 H12 O4 | SMILES: | OC1C(OC(O)C(O)C1)C | InChi: | InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6+/m1/s1 | Synonyms: | alpha-D-Paratose | Definition date: | 2011-09-02 | Last modified: | 2020-07-17 | Release date: | 2012-08-24 | Identifier: | 3,6-dideoxy-alpha-D-ribo-hexopyranose |
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| 6K3 | Name: | heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | Formula: | C13 H25 F O5 | SMILES: | CCCCCCCO[CH]1O[CH](CO)[CH](F)[CH](O)[CH]1O | InChi: | InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(14)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1 | Synonyms: | 4-Fluoro-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-17 | Release date: | 2017-06-21 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol |
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| 6KH | Name: | heptyl 3-fluoro-alpha-D-mannopyranoside | Formula: | C13 H25 F O5 | SMILES: | CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O | InChi: | InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1 | Synonyms: | 3-Fluoro-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-17 | Release date: | 2017-06-21 | Identifier: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol |
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| 6KL | Name: | methyl 4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Formula: | C14 H24 N2 O9 | SMILES: | C(O)(C1(OC)OC(C(C(C1)NC(C)=O)NC(C)=O)C(C(CO)O)O)=O | InChi: | InChI=1S/C14H24N2O9/c1-6(18)15-8-4-14(24-3,13(22)23)25-12(10(8)16-7(2)19)11(21)9(20)5-17/h8-12,17,20-21H,4-5H2,1-3H3,(H,15,18)(H,16,19)(H,22,23)/t8-,9+,10+,11+,12+,14+/m0/s1 | Synonyms: | methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Definition date: | 2016-04-22 | Last modified: | 2020-07-17 | Release date: | 2016-05-11 | Identifier: | methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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| 6KS | Name: | heptyl 2-fluoro-alpha-D-mannopyranoside | Formula: | C13 H25 F O5 | SMILES: | CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F | InChi: | InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-10(14)12(17)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12-,13+/m1/s1 | Synonyms: | 2-Fluoro-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-17 | Release date: | 2017-06-21 | Identifier: | (2~{R},3~{S},4~{S},5~{S},6~{S})-5-fluoranyl-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol |
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| 6KU | Name: | heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside | Formula: | C13 H26 O5 | SMILES: | CCCCCCCO[CH]1O[CH](CO)C[CH](O)[CH]1O | InChi: | InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-12(16)11(15)8-10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1 | Synonyms: | 4-Deoxy-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-17 | Release date: | 2017-06-21 | Identifier: | (2~{S},3~{S},4~{S},6~{S})-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol |
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| 6KW | Name: | heptyl 3-deoxy-alpha-D-mannopyranoside | Formula: | C13 H26 O5 | SMILES: | CCCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O | InChi: | InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-11(16)8-10(15)12(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1 | Synonyms: | 3-Deoxy-Heptylmannoside | Definition date: | 2016-05-27 | Last modified: | 2020-07-17 | Release date: | 2017-06-21 | Identifier: | (2~{S},3~{S},5~{S},6~{R})-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol |
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| 95Z | Name: | 2-amino-2-deoxy-alpha-D-mannopyranose | Formula: | C6 H13 N O5 | SMILES: | N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O | InChi: | InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4-,5-,6+/m1/s1 | Synonyms: | alpha-D-mannosamine | Definition date: | 2017-04-25 | Last modified: | 2020-07-17 | Release date: | 2017-12-27 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{R})-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol |
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| 96O | Name: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside | Formula: | C10 H17 N3 O6 | SMILES: | C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O | InChi: | InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1 | Synonyms: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside | Definition date: | 2018-01-25 | Last modified: | 2020-07-17 | Release date: | 2019-04-10 | Identifier: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside |
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| 9AM | Name: | 9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | Formula: | C11 H18 N2 O7 | SMILES: | O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(O)C=1 | InChi: | InChI=1S/C11H18N2O7/c1-4(14)13-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,15-17H,3,12H2,1H3,(H,13,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | Definition date: | 2000-07-21 | Last modified: | 2020-07-17 | Identifier: | 5-(acetylamino)-9-amino-2,6-anhydro-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enonic acid |
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| B0D | Name: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | Formula: | 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 | Definition date: | 2009-08-18 | Last modified: | 2020-07-17 | Identifier: | (2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
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| QIF | Name: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose | Formula: | C7 H15 O9 P | SMILES: | C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C | InChi: | InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1 | Synonyms: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose | Definition date: | 2018-11-09 | Last modified: | 2020-07-17 | Release date: | 2019-05-01 | Identifier: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
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| B16 | Name: | 1,6-di-O-phosphono-beta-D-glucopyranose | Formula: | 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 | Synonyms: | 1,6-di-O-phosphono-beta-D-glucose | Definition date: | 2011-12-06 | Last modified: | 2020-07-17 | Identifier: | 1,6-di-O-phosphono-beta-D-glucopyranose |
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| B1H | Name: | (1S)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1H-1,2,4-triazol-5-yl)-D-glucitol | Formula: | 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 | Synonyms: | [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 | Definition date: | 2017-09-05 | Last modified: | 2020-07-17 | Release date: | 2018-02-28 | Identifier: | [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 | Name: | (1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol | Formula: | 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 | Synonyms: | (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 | Definition date: | 2017-09-05 | Last modified: | 2020-07-17 | Release date: | 2018-02-28 | Identifier: | (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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| B7G | Name: | heptyl beta-D-glucopyranoside | 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-BETA-D-GLUCOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | heptyl beta-D-glucopyranoside |
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| B8D | Name: | 4-O-methyl-alpha-D-glucopyranose | Formula: | 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 | Synonyms: | 4-O-methyl-alpha-D-glucose | Definition date: | 2009-08-18 | Last modified: | 2020-07-17 | Identifier: | 4-O-methyl-alpha-D-glucopyranose |
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| BBK | Name: | 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose | Formula: | 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 | Synonyms: | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose | Definition date: | 2014-04-30 | Last modified: | 2020-07-17 | Release date: | 2014-05-28 | Identifier: | 2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose |
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| BBV | Name: | benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside | Formula: | 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 | Synonyms: | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside | Definition date: | 2012-04-09 | Last modified: | 2020-07-17 | Identifier: | benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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| BDG | Name: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose | Formula: | 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 | Synonyms: | O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose |
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| CBF | Name: | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide | Formula: | C7 H13 N O7 | SMILES: | O=C(N)C1(O)OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1 | Synonyms: | C-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDE | Definition date: | 2003-05-01 | Last modified: | 2020-07-17 | Identifier: | (2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
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| R1P | Name: | 1-O-phosphono-alpha-D-ribofuranose | Formula: | C5 H11 O8 P | SMILES: | O=P(OC1OC(C(O)C1O)CO)(O)O | InChi: | InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1 | Synonyms: | RIBOSE-1-PHOSPHATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 1-O-phosphono-alpha-D-ribofuranose |
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