 | | PQ8 | | Name: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid | | Formula: | C22 H26 N4 O7 | | SMILES: | CC(C)(C)OC(=O)N(CCOCCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 | | InChi: | InChI=1S/C22H26N4O7/c1-22(2,3)33-21(31)25(8-10-32-11-9-27)18-6-7-26-19(24-18)16(13-23-26)14-4-5-15(20(29)30)17(28)12-14/h4-7,12-13,27-28H,8-11H2,1-3H3,(H,29,30) | | Definition date: | 2020-04-27 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid |
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 | | Q2M | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | | Formula: | C23 H32 N8 O5 S | | SMILES: | c2nc1n(cnc1c(n2)N)C5C(C(O)C(CN(CCC(C(=O)O)N)CC3CN(C3)Cc4cccs4)O5)O | | InChi: | InChI=1S/C23H32N8O5S/c24-15(23(34)35)3-4-29(6-13-7-30(8-13)9-14-2-1-5-37-14)10-16-18(32)19(33)22(36-16)31-12-28-17-20(25)26-11-27-21(17)31/h1-2,5,11-13,15-16,18-19,22,32-33H,3-4,6-10,24H2,(H,34,35)(H2,25,26,27)/t15-,16+,18+,19+,22+/m0/s1 | | Definition date: | 2019-09-11 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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 | | Q2P | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | | Formula: | C25 H33 Cl N8 O5 | | SMILES: | c2nc1n(cnc1c(N)n2)C5C(C(O)C(CN(CC3CN(C3)Cc4cccc(c4)Cl)CCC(C(O)=O)N)O5)O | | InChi: | InChI=1S/C25H33ClN8O5/c26-16-3-1-2-14(6-16)7-33-9-15(10-33)8-32(5-4-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-3,6,12-13,15,17-18,20-21,24,35-36H,4-5,7-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1 | | Definition date: | 2019-09-11 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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 | | Q2V | | Name: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine | | Formula: | C33 H42 N8 O5 | | SMILES: | n6cnc5n(C4OC(CN(CC3CN(CCC(c1ccccc1)c2ccccc2)C3)CCC(C(=O)O)N)C(C4O)O)cnc5c6N | | InChi: | InChI=1S/C33H42N8O5/c34-25(33(44)45)12-14-40(18-26-28(42)29(43)32(46-26)41-20-38-27-30(35)36-19-37-31(27)41)17-21-15-39(16-21)13-11-24(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,19-21,24-26,28-29,32,42-43H,11-18,34H2,(H,44,45)(H2,35,36,37)/t25-,26+,28+,29+,32+/m0/s1 | | Definition date: | 2019-09-11 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine |
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 | | Q34 | | Name: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine | | Formula: | C25 H33 Cl N8 O5 | | SMILES: | O=C(O)C(N)CCN(CC1CN(C1)Cc2ccc(cc2)Cl)CC3C(O)C(O)C(O3)n5c4ncnc(c4nc5)N | | InChi: | InChI=1S/C25H33ClN8O5/c26-16-3-1-14(2-4-16)7-33-9-15(10-33)8-32(6-5-17(27)25(37)38)11-18-20(35)21(36)24(39-18)34-13-31-19-22(28)29-12-30-23(19)34/h1-4,12-13,15,17-18,20-21,24,35-36H,5-11,27H2,(H,37,38)(H2,28,29,30)/t17-,18+,20+,21+,24+/m0/s1 | | Definition date: | 2019-09-11 | | Last modified: | 2020-06-26 | | Release date: | 2020-07-01 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine |
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 | | G4P | | Name: | GUANOSINE-5',3'-TETRAPHOSPHATE | | Formula: | C10 H17 N5 O17 P4 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | guanosine tetraphosphate | | Definition date: | 2002-05-16 | | Last modified: | 2020-06-24 | | Identifier: | guanosine 3',5'-bis(trihydrogen diphosphate) |
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 | | RB5 | | Name: | D-ribose | | Formula: | C5 H10 O5 | | SMILES: | O=CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m0/s1 | | Definition date: | 2010-06-21 | | Last modified: | 2020-06-24 | | Identifier: | D-ribose |
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 | | QDK | | Name: | L-ribulose | | Formula: | C5 H10 O5 | | SMILES: | O=C(CO)C(O)C(O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m0/s1 | | Definition date: | 2011-01-25 | | Last modified: | 2020-06-24 | | Identifier: | L-ribulose |
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 | | REL | | Name: | D-glucuronic acid | | Formula: | C6 H10 O7 | | SMILES: | O=C(O)C(O)C(O)C(O)C(O)C=O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1 | | Synonyms: | D-Glucuronate | | Definition date: | 2009-05-26 | | Last modified: | 2020-06-24 | | Identifier: | D-glucuronic acid |
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 | | ROR | | Name: | L-ribose | | Formula: | C5 H10 O5 | | SMILES: | O=CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5-/m1/s1 | | Definition date: | 2013-12-10 | | Last modified: | 2020-06-24 | | Release date: | 2014-05-28 | | Identifier: | L-ribose |
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 | | LAI | | Name: | L-arabinose | | Formula: | C5 H10 O5 | | SMILES: | OCC(C(C(C=O)O)O)O | | InChi: | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1 | | Definition date: | 2010-01-27 | | Last modified: | 2020-06-24 | | Identifier: | L-arabinose |
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 | | LPK | | Name: | L-psicose | | Formula: | C6 H12 O6 | | SMILES: | O=C(C(O)C(O)C(O)CO)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m0/s1 | | Definition date: | 2014-07-03 | | Last modified: | 2020-06-24 | | Release date: | 2015-04-29 | | Identifier: | L-psicose |
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 | | LTG | | Name: | L-tagatose | | Formula: | C6 H12 O6 | | SMILES: | O=C(C(O)C(O)C(O)CO)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6-/m0/s1 | | Definition date: | 2014-07-22 | | Last modified: | 2020-06-24 | | Release date: | 2014-10-22 | | Identifier: | L-tagatose |
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 | | SDD | | Name: | D-sorbose | | Formula: | C6 H12 O6 | | SMILES: | O=C(C(O)C(O)C(O)CO)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1 | | Definition date: | 2012-02-11 | | Last modified: | 2020-06-24 | | Identifier: | D-sorbose |
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 | | 3BU | | Name: | L-allose | | Formula: | C6 H12 O6 | | SMILES: | O=CC(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m1/s1 | | Definition date: | 2014-07-23 | | Last modified: | 2020-06-24 | | Release date: | 2015-04-29 | | Identifier: | L-allose |
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 | | 8YV | | Name: | 2-keto-D-gluconic acid | | Formula: | C6 H10 O7 | | SMILES: | C(C(CO)O)(O)C(C(C(=O)O)=O)O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1 | | Synonyms: | (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid | | Definition date: | 2017-03-21 | | Last modified: | 2020-06-24 | | Release date: | 2017-03-29 | | Identifier: | D-fructosonic acid |
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 | | SOL | | Name: | L-sorbose | | Formula: | C6 H12 O6 | | SMILES: | O=C(C(O)C(O)C(O)CO)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 | | Definition date: | 2010-05-14 | | Last modified: | 2020-06-24 | | Identifier: | L-sorbose |
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 | | DNO | | Name: | D-mannose | | Formula: | C6 H12 O6 | | SMILES: | O=CC(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5-,6-/m1/s1 | | Definition date: | 2007-11-19 | | Last modified: | 2020-06-24 | | Identifier: | D-mannose |
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 | | AOS | | Name: | D-ALLOSE | | Formula: | C6 H12 O6 | | SMILES: | O=CC(O)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1 | | Definition date: | 2006-08-25 | | Last modified: | 2020-06-24 | | Identifier: | D-allose |
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 | | PSJ | | Name: | D-psicose | | Formula: | C6 H12 O6 | | SMILES: | O=C(C(O)C(O)C(O)CO)CO | | InChi: | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1 | | Definition date: | 2009-09-09 | | Last modified: | 2020-06-24 | | Identifier: | D-psicose |
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 | | AR4 | | Name: | 2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid | | Formula: | C10 H16 F N O8 | | SMILES: | O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N | | InChi: | InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1 | | Synonyms: | MODIFIED RIBOSYLATED GLUTAMYL ESTER | | Definition date: | 2004-02-16 | | Last modified: | 2020-06-21 | | Identifier: | (2S)-2-amino-5-{[(2R,3S,4R,5R)-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-oxopentanoic acid (non-preferred name) |
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 | | ND8 | | Name: | benzothiophene 2 carboxylic acid | | Formula: | C9 H6 O2 S | | SMILES: | OC(=O)c1sc2ccccc2c1 | | InChi: | InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) | | Definition date: | 2019-11-22 | | Last modified: | 2020-06-19 | | Release date: | 2020-06-24 | | Identifier: | 1-benzothiophene-2-carboxylic acid |
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 | | QLV | | Name: | N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide | | Formula: | C15 H20 F2 N2 O3 S | | SMILES: | c2(cnc(OC)c([C@H]=[C@H]C1CCC(CC1)(F)F)c2)NS(C)(=O)=O | | InChi: | InChI=1S/C15H20F2N2O3S/c1-22-14-12(9-13(10-18-14)19-23(2,20)21)4-3-11-5-7-15(16,17)8-6-11/h3-4,9-11,19H,5-8H2,1-2H3/b4-3+ | | Definition date: | 2019-11-15 | | Last modified: | 2020-06-19 | | Release date: | 2020-06-24 | | Identifier: | N-{5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl}methanesulfonamide |
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 | | QSJ | | Name: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one | | Formula: | C20 H20 Cl N O4 | | SMILES: | c2(N1CC(C(C1=O)O)O)cc(c(c(c2)[C@H]=[C@H]c3ccc(cc3)Cl)OC)C | | InChi: | InChI=1S/C20H20ClNO4/c1-12-9-16(22-11-17(23)18(24)20(22)25)10-14(19(12)26-2)6-3-13-4-7-15(21)8-5-13/h3-10,17-18,23-24H,11H2,1-2H3/b6-3+/t17-,18-/m1/s1 | | Definition date: | 2019-12-16 | | Last modified: | 2020-06-19 | | Release date: | 2020-06-24 | | Identifier: | (3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one |
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 | | QXD | | Name: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine | | Formula: | C29 H43 N8 O13 P S2 | | SMILES: | C(C(=O)NCCC(NCCSC(CS(NCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)O)(=O)=O)c4cccc(c4)O)=O)(C(C)(C)COP(O)(O)=O)O | | InChi: | InChI=1S/C29H43N8O13PS2/c1-29(2,13-49-51(44,45)46)24(42)27(43)32-7-6-20(39)31-8-9-52-19(16-4-3-5-17(38)10-16)12-53(47,48)36-11-18-22(40)23(41)28(50-18)37-15-35-21-25(30)33-14-34-26(21)37/h3-5,10,14-15,18-19,22-24,28,36,38,40-42H,6-9,11-13H2,1-2H3,(H,31,39)(H,32,43)(H2,30,33,34)(H2,44,45,46)/t18-,19+,22-,23-,24+,28-/m1/s1 | | Definition date: | 2020-01-13 | | Last modified: | 2020-06-19 | | Release date: | 2020-06-24 | | Identifier: | 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine |
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