| 5QP | Name: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside | Formula: | C13 H24 O10 | SMILES: | OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C13H24O10/c14-2-4-5(16)1-6(17)8(18)12(4)23-13-11(21)10(20)9(19)7(3-15)22-13/h4-21H,1-3H2/t4-,5+,6-,7+,8+,9+,10-,11+,12+,13+/m0/s1 | Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida
nyl)cyclohexyl]oxy-oxane-3,4,5-triol | Definition date: | 2015-11-10 | Last modified: | 2020-07-17 | Release date: | 2016-07-06 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(1~{R},2~{S},3~{R},5~{S},6~{R})-2-(hydroxymethyl)-3,5,6-tris(oxida
nyl)cyclohexyl]oxy-oxane-3,4,5-triol |
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| 5TH | Name: | [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1OSO | InChi: | InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)3(8)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5-,6+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4-bis(oxidanyl)-5-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate |
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| 5TJ | Name: | [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1OSO | InChi: | InChI=1S/C6H12O10S2/c7-1-2-4(15-17-10)5(16-18(11,12)13)3(8)6(9)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | [(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{R},3~{R},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-5,6-bis(oxidanyl)-3-oxidanylsulfanyloxy-oxan-4-yl] hydrogen sulfate |
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| 5TK | Name: | (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol | Formula: | C6 H12 O7 S | SMILES: | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1OSO | InChi: | InChI=1S/C6H12O7S/c7-1-2-5(13-14-11)3(8)4(9)6(10)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1 | Synonyms: | (2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-oxidanylsulfanyloxy-oxane-2,3,4-triol |
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| 5TM | Name: | [(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Formula: | C6 H12 O10 S2 | SMILES: | OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](OSO)[CH]1O | InChi: | InChI=1S/C6H12O10S2/c7-1-2-3(8)4(15-17-10)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | [(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate | Definition date: | 2015-11-28 | Last modified: | 2020-07-17 | Release date: | 2016-11-02 | Identifier: | [(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate |
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| 604 | Name: | 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos
e | Formula: | C19 H21 Br N2 O10 S | SMILES: | Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O | InChi: | InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1 | Synonyms: | 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m
ethyl-furan-3-carboxylic acid | Definition date: | 2016-01-07 | Last modified: | 2020-07-17 | Release date: | 2016-03-30 | Identifier: | 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m
ethyl-furan-3-carboxylic acid |
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| 61J | Name: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol | Formula: | C8 H17 O7 P | SMILES: | C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O | InChi: | InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1 | Definition date: | 2016-01-13 | Last modified: | 2020-07-17 | Release date: | 2016-03-02 | Identifier: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol |
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| 62I | Name: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol | Formula: | C13 H24 N2 O11 S2 | SMILES: | C1(C(O)C(O)C(C(COC(=O)C)O1)O)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N | InChi: | InChI=1S/C13H24N2O11S2/c1-7(16)24-6-9-10(17)11(18)12(19)13(25-9)27(20,21)15-4-2-8(3-5-15)26-28(14,22)23/h8-13,17-19H,2-6H2,1H3,(H2,14,22,23)/t9-,10+,11-,12-,13-/m1/s1 | Definition date: | 2015-05-21 | Last modified: | 2020-07-17 | Release date: | 2015-08-26 | Identifier: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol |
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| 8LM | Name: | 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni
c acid | Formula: | C21 H26 N4 O8 | SMILES: | C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C | InChi: | InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1 | Definition date: | 2017-02-15 | Last modified: | 2020-07-17 | Release date: | 2018-06-27 | Identifier: | 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni
c acid |
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| 8LR | Name: | 2-hydroxyethyl alpha-D-mannopyranoside | Formula: | C8 H16 O7 | SMILES: | O(CCO)C1OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1 | Synonyms: | 2-hydroxyethyl alpha-D-mannoside | Definition date: | 2014-04-22 | Last modified: | 2020-07-17 | Release date: | 2015-04-22 | Identifier: | 2-hydroxyethyl alpha-D-mannopyranoside |
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| 8OQ | Name: | alpha-D-aceric acid | Formula: | C6 H10 O6 | SMILES: | C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O | InChi: | InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1 | Definition date: | 2017-02-14 | Last modified: | 2020-07-17 | Release date: | 2017-03-22 | Identifier: | (2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid |
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| 8PK | Name: | 4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose | Formula: | C9 H18 O6 | SMILES: | CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O | InChi: | InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1 | Synonyms: | 2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose | Definition date: | 2017-02-18 | Last modified: | 2020-07-17 | Release date: | 2017-03-22 | Identifier: | (2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol |
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| 8S0 | Name: | L-glucono-1,5-lactone | Formula: | C6 H10 O6 | SMILES: | OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1 | Synonyms: | (3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one | Definition date: | 2017-09-07 | Last modified: | 2020-07-17 | Release date: | 2018-05-23 | Identifier: | (3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one |
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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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| 23V | Name: | N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 Cl N3 O5 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2 | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 24S | Name: | N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H18 N4 O7 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O | InChi: | InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 25E | Name: | N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2 | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-05-03 | Last modified: | 2020-07-17 | Identifier: | N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 26O | Name: | N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | Formula: | C14 H19 N3 O6 S | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O | InChi: | InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1 | Synonyms: | 2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone | Definition date: | 2010-06-07 | Last modified: | 2020-07-17 | Identifier: | N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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| 27C | Name: | 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose | Formula: | C9 H18 F O7 P | SMILES: | FC1C(O)C(OC1O)COP(=O)(OCCCC)O | InChi: | InChI=1S/C9H18FO7P/c1-2-3-4-15-18(13,14)16-5-6-8(11)7(10)9(12)17-6/h6-9,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8-,9+/m1/s1 | Synonyms: | Inhibitor CZ-27 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form | Definition date: | 2011-05-11 | Last modified: | 2020-07-17 | Identifier: | 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose |
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| 289 | Name: | D-glycero-alpha-D-manno-heptopyranose | Formula: | C7 H14 O7 | SMILES: | OC1C(O)C(OC(O)C1O)C(O)CO | InChi: | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1 | Synonyms: | D-glycero-alpha-D-manno-heptose | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | D-glycero-alpha-D-manno-heptopyranose |
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| 291 | Name: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside | Formula: | C11 H19 N O8 | SMILES: | O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N | InChi: | InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1 | Synonyms: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside |
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| 293 | Name: | 2-deoxy-beta-L-galacto-heptopyranose | Formula: | 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 | Synonyms: | (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol | Definition date: | 2007-11-09 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-beta-L-galacto-heptopyranose |
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| 2DG | Name: | 2-deoxy-alpha-D-galactopyranose | Formula: | 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 | Synonyms: | 2-deoxy-alpha-D-lyxo-hexopyranose | Definition date: | 2001-10-02 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-alpha-D-lyxo-hexopyranose |
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