| ASG | Name: | 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose | Formula: | C8 H15 N O9 S | SMILES: | O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO | InChi: | InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1 | Synonyms: | 2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-4-SULFATE | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose |
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| ASO | Name: | 1,5-anhydro-D-glucitol | Formula: | C6 H12 O5 | SMILES: | OC1C(OCC(O)C1O)CO | InChi: | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 | Synonyms: | 1,5-ANHYDROSORBITOL | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | 1,5-anhydro-D-glucitol |
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| AXP | Name: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol | Formula: | C10 H20 N O9 P | SMILES: | O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO | InChi: | InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7-,8+,9+,10+/m0/s1 | Synonyms: | 4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE) | Definition date: | 1999-07-08 | Last modified: | 2020-07-17 | Identifier: | (1S)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol |
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| AXR | Name: | methyl alpha-D-arabinofuranoside | Formula: | C6 H12 O5 | SMILES: | OC1C(OC(OC)C1O)CO | InChi: | InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1 | Synonyms: | 1-O-methyl-alpha-D-arabinofuranoside | Definition date: | 2009-06-03 | Last modified: | 2020-07-17 | Identifier: | methyl alpha-D-arabinofuranoside |
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| AY9 | Name: | Ascopyrone M | Formula: | C6 H8 O4 | SMILES: | O=C1C(O)=CC(OC1)CO | InChi: | InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1 | Definition date: | 2011-11-15 | Last modified: | 2020-07-17 | Identifier: | (6S)-4-hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one |
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| AZC | Name: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine | Formula: | C9 H16 N2 O7 | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C | InChi: | InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1 | Synonyms: | N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA | Definition date: | 2001-09-21 | Last modified: | 2020-07-17 | Identifier: | N-(acetylcarbamoyl)-beta-D-glucopyranosylamine |
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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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| 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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| B6D | Name: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose | Formula: | C10 H18 N2 O5 | SMILES: | O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C | InChi: | InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1 | Synonyms: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose | Definition date: | 2008-05-01 | Last modified: | 2020-07-17 | Identifier: | 2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose |
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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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| JFZ | Name: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside | Formula: | C12 H15 N O7 | SMILES: | C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1 | Synonyms: | 4-nitrophenyl-alpha-L-fucose | Definition date: | 2019-02-19 | Last modified: | 2020-07-17 | Release date: | 2019-02-27 | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol |
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| JHM | Name: | 2-deoxy-6-O-sulfo-alpha-D-glucopyranose | Formula: | C6 H12 O8 S | SMILES: | O=S(=O)(O)OCC1OC(O)CC(O)C1O | InChi: | InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1 | Synonyms: | 2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose | Definition date: | 2010-09-27 | Last modified: | 2020-07-17 | Identifier: | 2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose |
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| JLT | Name: | 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol | Formula: | C8 H18 O10 P2 | SMILES: | O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O | InChi: | InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1 | Synonyms: | [(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid | Definition date: | 2019-03-11 | Last modified: | 2020-07-17 | Release date: | 2020-04-01 | Identifier: | [(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid |
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| JS2 | Name: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribofuranose | Formula: | C14 H23 N5 O12 P2 | SMILES: | O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O | InChi: | InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1 | Synonyms: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribose | Definition date: | 2014-06-18 | Last modified: | 2020-07-17 | Release date: | 2015-05-13 | Identifier: | 5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-
ribofuranose |
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| JV4 | Name: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose | Formula: | C6 H12 F O8 P | SMILES: | C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O | InChi: | InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 | Synonyms: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose | Definition date: | 2018-09-28 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose |
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| JVA | Name: | 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol | Formula: | C7 H14 F O7 P | SMILES: | C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O | InChi: | InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1 | Definition date: | 2018-10-01 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol |
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| JVS | Name: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose | Formula: | C7 H14 F O9 P | SMILES: | C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O | InChi: | InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1 | Synonyms: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose | Definition date: | 2018-10-04 | Last modified: | 2020-07-17 | Release date: | 2019-07-31 | Identifier: | 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
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| JZR | Name: | hexyl beta-D-glucopyranoside | Formula: | C12 H24 O6 | SMILES: | CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1 | Synonyms: | hexyl beta-D-glucoside | Definition date: | 2009-11-11 | Last modified: | 2020-07-17 | Identifier: | (2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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| POG | Name: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL | Formula: | C21 H44 O8 | SMILES: | O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C | InChi: | InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1 | Synonyms: | POLYPROPYLENE GLYCOL | Definition date: | 2004-09-01 | Last modified: | 2020-05-27 | Identifier: | (20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol |
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| O9M | Name: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide | Formula: | C18 H15 F N4 O3 S | SMILES: | c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3 | InChi: | InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24) | Definition date: | 2019-06-19 | Last modified: | 2020-03-27 | Release date: | 2020-04-01 | Identifier: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide |
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| N67 | Name: | N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide | Formula: | C11 H14 N4 O4 S2 | SMILES: | N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O | InChi: | InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16) | Definition date: | 2019-05-03 | Last modified: | 2019-12-13 | Release date: | 2019-12-18 | Identifier: | N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide |
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| AH6 | Name: | 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde | Formula: | C13 H17 N O3 | SMILES: | c2c1CN(CCc1cc(c2OC)OCC)C=O | InChi: | InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3 | Definition date: | 2018-11-01 | Last modified: | 2019-10-18 | Release date: | 2019-10-23 | Identifier: | 6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde |
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