| PH5 | Name: | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid | Formula: | C19 H27 N O9 | SMILES: | O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2 | InChi: | InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1 | Synonyms: | 2-PHENYL-PROP5AC | Definition date: | 2005-06-27 | Last modified: | 2020-07-17 | Identifier: | benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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| PKM | Name: | 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | Formula: | C13 H21 N O10 | SMILES: | C(=O)(O)C1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O | InChi: | InChI=1S/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)/t7-,8+,9-,10-,11-,13-/m1/s1 | Synonyms: | 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid | Definition date: | 2019-08-14 | Last modified: | 2020-07-17 | Release date: | 2020-02-12 | Identifier: | 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid |
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| PNA | Name: | 4-nitrophenyl alpha-D-mannopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12+/m1/s1 | Synonyms: | 4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl alpha-D-mannopyranoside |
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| PNG | Name: | 4-nitrophenyl alpha-D-glucopyranoside | Formula: | C12 H15 N O8 | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2 | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1 | Synonyms: | 4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 4-nitrophenyl alpha-D-glucopyranoside |
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| 9KJ | Name: | {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid | Formula: | C13 H26 N O12 P | SMILES: | C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O | InChi: | InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1 | Synonyms: | {[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid | Definition date: | 2017-05-17 | Last modified: | 2020-07-17 | Release date: | 2017-06-07 | Identifier: | {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid |
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| 9MR | Name: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside | Formula: | C12 H23 N O8 | SMILES: | O(C1C(O)CNCC1CO)C2OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(16)11(5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1 | Synonyms: | CELLOBIOSE-LIKE ISOFAGOMINE | Definition date: | 2007-02-26 | Last modified: | 2020-07-17 | Identifier: | (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside |
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| 9OK | Name: | 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside | Formula: | C14 H20 O8 | SMILES: | OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O | InChi: | InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1 | Synonyms: | fructosyl-hydroxytyrosol | Definition date: | 2017-06-19 | Last modified: | 2020-07-17 | Release date: | 2018-11-28 | Identifier: | (2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
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| 9PG | Name: | 4-nitrophenyl alpha-D-galactopyranoside | Formula: | C12 H15 N O8 | SMILES: | C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O | InChi: | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1 | Synonyms: | 4-nitrophenyl alpha-D-galactoside | Definition date: | 2015-05-22 | Last modified: | 2020-07-17 | Release date: | 2015-07-29 | Identifier: | 4-nitrophenyl alpha-D-galactopyranoside |
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| 9QG | Name: | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside | Formula: | C10 H18 O8 | SMILES: | O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O | InChi: | InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1 | Synonyms: | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside | Definition date: | 2017-05-25 | Last modified: | 2020-07-17 | Release date: | 2018-05-23 | Identifier: | methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside |
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| MDA | Name: | 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose | Formula: | C7 H14 O4 | SMILES: | OC1(C)C(O)C(OC(O)C1)C | InChi: | InChI=1S/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1 | Synonyms: | 2,6-DIDEOXY-3 C-METHYL-D-RIBOPYRANOSIDE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose |
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| MDP | Name: | N-carboxyl-N-methyl-beta-muramic acid | Formula: | C11 H19 N O9 | SMILES: | O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C | InChi: | InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1 | Synonyms: | N-CARBOXY-N-METHYL-MURAMIC ACID | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose |
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| 9S7 | Name: | 5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid | Formula: | C11 H18 F N O7 | SMILES: | O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O | InChi: | InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1 | Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid |
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| 9SG | Name: | (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid | Formula: | C11 H17 F2 N O7 | SMILES: | O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1 | Synonyms: | (2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic
acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | (2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid
(non-preferred name) |
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| 9SJ | Name: | 5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid | Formula: | C11 H18 F N O7 | SMILES: | O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O | InChi: | InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1 | Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid |
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| 9SM | Name: | (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | Formula: | C11 H17 F2 N O7 | SMILES: | OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1 | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c
arboxylic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | (2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
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| 9SP | Name: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | Formula: | C11 H17 F2 N O7 | SMILES: | OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O | InChi: | InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1 | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c
arboxylic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | (2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R)-1,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
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| 9T1 | Name: | 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid | Formula: | C11 H16 F N O7 | SMILES: | O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O | InChi: | InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1 | Synonyms: | 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | 5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid |
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| 9T7 | Name: | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid | Formula: | C11 H17 F2 N O7 | SMILES: | OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O | InChi: | InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1 | Synonyms: | (2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa
ne-2-carboxylic acid | Definition date: | 2017-06-07 | Last modified: | 2020-07-17 | Release date: | 2018-02-21 | Identifier: | (2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic
acid (non-preferred name) |
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| MFB | Name: | methyl beta-L-fucopyranoside | Formula: | C7 H14 O5 | SMILES: | OC1C(O)C(O)C(OC1OC)C | InChi: | InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1 | Synonyms: | BETA-L-METHYL-FUCOSE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | methyl 6-deoxy-beta-L-galactopyranoside |
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| MFU | Name: | methyl alpha-L-fucopyranoside | Formula: | C7 H14 O5 | SMILES: | OC1C(O)C(O)C(OC1OC)C | InChi: | InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1 | Synonyms: | ALPHA-L-METHYL-FUCOSE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | methyl 6-deoxy-alpha-L-galactopyranoside |
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| MG5 | Name: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose | Formula: | C15 H25 N O11 S | SMILES: | O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N | InChi: | InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1 | Synonyms: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose | Definition date: | 2011-08-30 | Last modified: | 2020-07-17 | Identifier: | 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose |
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| MGC | Name: | methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | Formula: | C9 H17 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1OC)CO)C | InChi: | InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1 | Synonyms: | ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE | Definition date: | 2003-07-02 | Last modified: | 2020-07-17 | Identifier: | methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside |
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| MGL | Name: | methyl beta-D-glucopyranoside | Formula: | C7 H14 O6 | SMILES: | OC1C(O)C(O)C(OC1OC)CO | InChi: | InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 | Synonyms: | O1-METHYL-GLUCOSE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | methyl beta-D-glucopyranoside |
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| MGS | Name: | methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside | Formula: | C12 H23 N O7 | SMILES: | O=C(NC1C(OC(OC)C(OC)C1O)C)C(O)CCO | InChi: | InChI=1S/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7-,8-,9+,10+,12+/m1/s1 | Synonyms: | 1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE | Definition date: | 2000-06-26 | Last modified: | 2020-07-17 | Identifier: | methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranoside |
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| 6PY | Name: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon
ic acid | Formula: | C16 H27 N5 O9 | SMILES: | N(C1C(C(C(OC(NCCOC)=O)C(CO)O)OC(=C1)C(=O)O)NC(C)=O)/C(N)=N | InChi: | InChI=1S/C16H27N5O9/c1-7(23)20-11-8(21-15(17)18)5-10(14(25)26)29-13(11)12(9(24)6-22)30-16(27)19-3-4-28-2/h5,8-9,11-13,22,24H,3-4,6H2,1-2H3,(H,19,27)(H,20,23)(H,25,26)(H4,17,18,21)/t8-,9+,11+,12+,13+/m0/s1 | Synonyms: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-
enonic acid | Definition date: | 2016-05-19 | Last modified: | 2020-07-17 | Release date: | 2016-06-29 | Identifier: | 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-
enonic acid |
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