 | | IWP | | Name: | 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol | | Formula: | C17 H11 F2 N5 O2 | | SMILES: | c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F | | InChi: | InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25) | | Definition date: | 2020-04-29 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-22 | | Identifier: | 5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol |
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 | | IXD | | Name: | 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid | | Formula: | C6 H8 O9 S | | SMILES: | O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O | | InChi: | InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1 | | Synonyms: | 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid | | Definition date: | 2009-08-19 | | Last modified: | 2020-07-17 | | Identifier: | (2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid |
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 | | J5B | | Name: | (3R)-3-hydroxybutyl alpha-D-glucopyranoside | | Formula: | C10 H20 O7 | | SMILES: | C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6-,7-,8+,9-,10+/m1/s1 | | Synonyms: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol | | Definition date: | 2019-01-26 | | Last modified: | 2020-07-17 | | Release date: | 2019-02-06 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol |
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 | | 045 | | Name: | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside | | Formula: | C18 H32 O16 | | SMILES: | O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)COC3(OC(CO)C(O)C3O)CO)CO | | InChi: | InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1 | | Synonyms: | 6-KESTOSE | | Definition date: | 2011-11-04 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside |
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 | | DJB | | Name: | 3-O-acetyl-2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid | | Formula: | C10 H15 N O8 | | SMILES: | CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1OC(C)=O)C(O)=O | | InChi: | InChI=1S/C10H15NO8/c1-3(12)11-5-7(18-4(2)13)6(14)8(9(15)16)19-10(5)17/h5-8,10,14,17H,1-2H3,(H,11,12)(H,15,16)/t5-,6-,7-,8+,10+/m1/s1 | | Synonyms: | alpha-D-2-N-acetyl-3-O-acetylgalactosaminuronic acid | | Definition date: | 2018-01-18 | | Last modified: | 2020-07-17 | | Release date: | 2018-05-02 | | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-4-acetyloxy-3,6-bis(oxidanyl)oxane-2-carboxylic acid |
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 | | DJE | | Name: | 2-acetamido-2-deoxy-alpha-D-galactopyranuronic acid | | Formula: | C8 H13 N O7 | | SMILES: | CC(=O)N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O | | InChi: | InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4-,5-,6+,8+/m1/s1 | | Synonyms: | alpha-D-2-N-acetylgalactosaminuronic acid | | Definition date: | 2018-01-18 | | Last modified: | 2020-07-17 | | Release date: | 2018-05-02 | | Identifier: | (2~{S},3~{R},4~{R},5~{R},6~{S})-5-acetamido-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
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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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 | | DK4 | | Name: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione | | Formula: | C10 H12 F2 N2 O6 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=C(F)C(=O)NC2=O | | InChi: | InChI=1S/C10H12F2N2O6/c11-3-1-14(10(19)13-8(3)18)9-7(17)5(12)6(16)4(2-15)20-9/h1,4-7,9,15-17H,2H2,(H,13,18,19)/t4-,5+,6-,7-,9-/m1/s1 | | Synonyms: | 1-(3-deoxy-3-fluoro-beta-D-glucosyl)-5-fluoropyrimidine-2,4(1H,3H)-dione | | Definition date: | 2010-01-13 | | Last modified: | 2020-07-17 | | Identifier: | 5-fluoro-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione |
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 | | DKX | | Name: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C10 H13 F N2 O6 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=O)NC2=O | | InChi: | InChI=1S/C10H13FN2O6/c11-6-7(16)4(3-14)19-9(8(6)17)13-2-1-5(15)12-10(13)18/h1-2,4,6-9,14,16-17H,3H2,(H,12,15,18)/t4-,6+,7-,8-,9-/m1/s1 | | Synonyms: | 1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione | | Definition date: | 2010-01-11 | | Last modified: | 2020-07-17 | | Identifier: | 1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione |
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 | | DKZ | | Name: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one | | Formula: | C10 H14 F N3 O5 | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](F)[CH]2O | | InChi: | InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7-,8-,9-/m1/s1 | | Synonyms: | 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidin-2(1H)-one | | Definition date: | 2010-01-12 | | Last modified: | 2020-07-17 | | Identifier: | 4-azanyl-1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one |
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 | | DL6 | | Name: | N-(azidoacetyl)-beta-D-glucopyranosylamine | | Formula: | C8 H14 N4 O6 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)C/N=[N+]=[N-] | | InChi: | InChI=1S/C8H14N4O6/c9-12-10-1-4(14)11-8-7(17)6(16)5(15)3(2-13)18-8/h3,5-8,13,15-17H,1-2H2,(H,11,14)/t3-,5-,6+,7-,8-/m1/s1 | | Synonyms: | 2-AZIDO-N-((2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)ACETAMIDE | | Definition date: | 2006-01-10 | | Last modified: | 2020-07-17 | | Identifier: | N-(azidoacetyl)-beta-D-glucopyranosylamine |
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 | | DLD | | Name: | 2-azidoethyl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-2-deoxy-beta-D-glucopyranoside | | Formula: | C18 H31 N5 O11 | | SMILES: | O=C(NC2C(O)C(O)C(OC2OC1C(OC(OCCN=[N+]=[N-])C(NC(=O)C)C1O)CO)CO)C | | InChi: | InChI=1S/C18H31N5O11/c1-7(26)21-11-14(29)13(28)9(5-24)32-18(11)34-16-10(6-25)33-17(31-4-3-20-23-19)12(15(16)30)22-8(2)27/h9-18,24-25,28-30H,3-6H2,1-2H3,(H,21,26)(H,22,27)/t9-,10-,11-,12-,13+,14-,15-,16-,17-,18+/m1/s1 | | Definition date: | 2010-06-17 | | Last modified: | 2020-07-17 | | Identifier: | 2-azidoethyl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-2-deoxy-beta-D-glucopyranoside |
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 | | DLG | | Name: | hexyl 3-deoxy-beta-D-galactopyranoside | | Formula: | C12 H24 O5 | | SMILES: | O(CCCCCC)C1OC(C(O)CC1O)CO | | InChi: | InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1 | | Synonyms: | HEXYL 3-DEOXY-BETA-D-GALACTOPYRANOSE | | Definition date: | 2003-10-29 | | Last modified: | 2020-07-17 | | Identifier: | hexyl 3-deoxy-beta-D-xylo-hexopyranoside |
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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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 | | DO8 | | Name: | 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid | | Formula: | C8 H15 O11 P | | SMILES: | O=P(O)(O)OCC(O)C1OC(O)(C(=O)O)CC(O)C1O | | InChi: | InChI=1S/C8H15O11P/c9-3-1-8(14,7(12)13)19-6(5(3)11)4(10)2-18-20(15,16)17/h3-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/t3-,4-,5-,6-,8-/m1/s1 | | Synonyms: | 3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHOSPHATE | | Definition date: | 2004-08-18 | | Last modified: | 2020-07-17 | | Identifier: | 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid |
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 | | DOM | | Name: | 2'-DEOXYMALTOSE | | Formula: | C12 H22 O10 | | SMILES: | O(C1C(OC(O)CC1O)CO)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C12H22O10/c13-2-5-8(17)9(18)10(19)12(21-5)22-11-4(15)1-7(16)20-6(11)3-14/h4-19H,1-3H2/t4-,5-,6-,7+,8-,9+,10-,11+,12-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 2-deoxy-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranose |
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 | | DP5 | | Name: | 1,4-DIMERCAPTO-ALPHA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOPYRANOSYL-(1-4)-S-1,4-DIMERCAPTO-BETA-D-GLUCOP
YRANOSE | | Formula: | C18 H32 O12 S4 | | SMILES: | S(C1C(OC(S)C(O)C1O)CO)C3OC(C(SC2OC(CO)C(S)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C18H32O12S4/c19-1-4-13(31)7(22)11(26)17(29-4)34-15-6(3-21)30-18(12(27)9(15)24)33-14-5(2-20)28-16(32)10(25)8(14)23/h4-27,31-32H,1-3H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 4-thio-beta-D-glucopyranosyl-(1->4)-4-thio-beta-D-glucopyranosyl-(1->4)-1,4-dithio-beta-D-glucopyranose |
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 | | DPC | | Name: | 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID | | Formula: | C20 H27 N3 O5 | | SMILES: | O=C(O)C=2OC(C(=O)N(CCc1ccccc1)CCC)C(NC(=O)C)C(N)C=2 | | InChi: | InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
(non-preferred name) |
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 | | DQR | | Name: | beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside | | Formula: | C18 H32 O16 | | SMILES: | O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)COC3(OC(CO)C(O)C3O)CO | | InChi: | InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1 | | Synonyms: | 1-KESTOSE | | Definition date: | 2005-08-29 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside |
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 | | DR2 | | Name: | 6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-2-(ACETYLAMINO)-2-DEOXY-BETA-L-GULOPYRANOSE | | Formula: | C20 H35 N O15 | | SMILES: | O=C(NC3C(O)C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(OC3O)CO)C | | InChi: | InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 | | Synonyms: | H TYPE II TRISACCHARIDE | | Definition date: | 2005-05-11 | | Last modified: | 2020-07-17 | | Identifier: | 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
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 | | DR3 | | Name: | 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose | | Formula: | C20 H35 N O15 | | SMILES: | O=C(NC3C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(O)C(OC3O)CO)C | | InChi: | InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1 | | Synonyms: | H TYPE I TRISACCHARIDE | | Definition date: | 2005-05-11 | | Last modified: | 2020-07-17 | | Identifier: | 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
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 | | DR5 | | Name: | METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-RIBO-HEXOPYRANOSIDE | | Formula: | C13 H24 O11 | | SMILES: | OC2C(O)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC)CO | | InChi: | InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1 | | Synonyms: | BETA-METHYLLACTOSIDE | | Definition date: | 2005-07-18 | | Last modified: | 2020-07-17 | | Identifier: | methyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside |
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 | | DT6 | | Name: | 2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose | | Formula: | C10 H18 N2 O6 | | SMILES: | O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C | | InChi: | InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1 | | Synonyms: | 2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose | | Definition date: | 2006-06-29 | | Last modified: | 2020-07-17 | | Identifier: | 2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose |
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 | | DYM | | Name: | (2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | | Formula: | C11 H17 N O8 | | SMILES: | C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O | | InChi: | InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1 | | Synonyms: | 6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID | | Definition date: | 2005-11-28 | | Last modified: | 2020-07-17 | | Identifier: | (2R)-2,3-dihydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid |
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 | | E3M | | Name: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | | Formula: | C10 H20 N2 O8 S | | SMILES: | C1(OC(C(C(C1)N)NC(C)=O)C(C(CO)O)O)S(O)(=O)=O | | InChi: | InChI=1S/C10H20N2O8S/c1-4(14)12-8-5(11)2-7(21(17,18)19)20-10(8)9(16)6(15)3-13/h5-10,13,15-16H,2-3,11H2,1H3,(H,12,14)(H,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1 | | Synonyms: | (1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol | | Definition date: | 2017-11-30 | | Last modified: | 2020-07-17 | | Release date: | 2018-03-07 | | Identifier: | (1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol |
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