 | | 12D | | Name: | 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) | | Formula: | C16 H16 N8 O16 P2 | | SMILES: | [O-][N+](=O)C5=CC([N+]([O-])=O)=CC([N+]([O-])=O)C35OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP(=O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C16H16N8O16P2/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(37-15)3-36-42(34,35)40-41(31,32)33)38-16(39-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H,34,35)(H2,17,18,19)(H2,31,32,33)/t7-,8-,11-,12-,15-,16-/m1/s1 | | Definition date: | 2007-11-01 | | Last modified: | 2011-06-04 | | Identifier: | 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) |
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 | | K74 | | Name: | N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide | | Formula: | C11 H9 Br4 N3 O S | | SMILES: | CNC(=O)CSc1nc2c(Br)c(Br)c(Br)c(Br)c2n1C | | InChi: | InChI=1S/C11H9Br4N3OS/c1-16-4(19)3-20-11-17-9-7(14)5(12)6(13)8(15)10(9)18(11)2/h3H2,1-2H3,(H,16,19) | | Definition date: | 2009-12-04 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-2-(4,5,6,7-tetrabromo-1-methyl-benzimidazol-2-yl)sulfanyl-ethanamide |
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 | | 138 | | Name: | N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE | | Formula: | C30 H37 N6 O15 P | | SMILES: | O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNCC(O)(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)Cc4cc3c(O)nc(nc3cc4)N | | InChi: | InChI=1S/C30H37N6O15P/c31-29-34-18-6-1-14(9-17(18)26(43)36-29)10-30(46,16-4-2-15(3-5-16)25(42)33-19(28(44)45)7-8-22(38)39)13-32-11-21(37)35-27-24(41)23(40)20(51-27)12-50-52(47,48)49/h1-6,9,19-20,23-24,27,32,40-41,46H,7-8,10-13H2,(H,33,42)(H,35,37)(H,38,39)(H,44,45)(H2,47,48,49)(H3,31,34,36,43)/t19-,20+,23+,24+,27+,30+/m0/s1 | | Definition date: | 2001-07-23 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[({4-[(1S)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-({[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}amino)-2-oxoethyl]amino}methyl)-1-hydroxyethyl]phenyl}carbonyl)amino]pentanedioic acid (non-preferred name) |
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 | | 139 | | Name: | ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINE | | Formula: | C19 H25 N7 O14 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C5OC(CO)C(OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O)C5 | | InChi: | InChI=1S/C19H25N7O14P2/c20-16-13-17(22-6-21-16)26(7-23-13)18-15(30)14(29)10(38-18)5-36-41(32,33)40-42(34,35)39-8-3-12(37-9(8)4-27)25-2-1-11(28)24-19(25)31/h1-2,6-10,12,14-15,18,27,29-30H,3-5H2,(H,32,33)(H,34,35)(H2,20,21,22)(H,24,28,31)/t8-,9+,10+,12+,14+,15+,18+/m0/s1 | | Definition date: | 2001-07-30 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name) |
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 | | 13A | | Name: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE | | Formula: | C9 H12 N4 O7 S | | SMILES: | O=C3NS(=O)(=O)Nc1c3ncn1C2OC(CO)C(O)C2O | | InChi: | InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2005-10-10 | | Last modified: | 2011-06-04 | | Identifier: | 7-beta-D-ribofuranosyl-1,7-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4(3H)-one 2,2-dioxide |
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 | | K88 | | Name: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | | Formula: | C19 H21 N3 O3 S | | SMILES: | O=S(=O)(c1cc2c(cc1)NC(=O)C/2=C/c3cc4c(n3)CCCC4)N(C)C | | InChi: | InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10- | | Definition date: | 2009-03-31 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide |
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 | | 13T | | Name: | 13-DEOXYTEDANOLIDE | | Formula: | C32 H50 O10 | | SMILES: | O=C1C(C)CCC(=O)C(C=C(C)C(O)C(C(=O)C(C)C(OC)C(O)C(=O)OCC1C(O)C2(OC2C(/C=CC)C)C)C)C | | InChi: | InChI=1S/C32H50O10/c1-10-11-17(3)30-32(8,42-30)29(38)22-15-41-31(39)27(37)28(40-9)21(7)26(36)20(6)24(34)19(5)14-18(4)23(33)13-12-16(2)25(22)35/h10-11,14,16-18,20-22,24,27-30,34,37-38H,12-13,15H2,1-9H3/b11-10-,19-14+/t16-,17+,18+,20-,21-,22+,24+,27-,28+,29+,30-,32-/m1/s1 | | Definition date: | 2007-03-01 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-dihydroxy-17-[(S)-hydroxy{(2R,3R)-2-methyl-3-[(1S,2Z)-1-methylbut-2-en-1-yl]oxiran-2-yl}methyl]-4-methoxy-5,7,9,11,15-pentamethyloxacyclooctadec-9-ene-2,6,12,16-tetrone (non-preferred name) |
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 | | K8X | | Name: | 4,5,6,7-tetraiodo-1H-benzimidazole | | Formula: | C7 H2 I4 N2 | | SMILES: | Ic1c(I)c(I)c2nc[nH]c2c1I | | InChi: | InChI=1S/C7H2I4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13) | | Definition date: | 2009-12-04 | | Last modified: | 2011-06-04 | | Identifier: | 4,5,6,7-tetraiodo-1H-benzimidazole |
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 | | 14H | | Name: | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide | | Formula: | C24 H41 N O3 | | SMILES: | O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCC | | InChi: | InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1 | | Definition date: | 2009-04-22 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide |
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 | | 156 | | Name: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID | | Formula: | C24 H26 O3 | | SMILES: | O=C(O)c1ccc(cc1)C=CC(=O)c2ccc3c(c2)C(CCC3(C)C)(C)C | | InChi: | InChI=1S/C24H26O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15H,13-14H2,1-4H3,(H,26,27)/b12-7+ | | Definition date: | 2001-09-06 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1E)-3-oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid |
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 | | KAB | | Name: | KABIRAMIDE C | | Formula: | C48 H75 N5 O14 | | SMILES: | O=C(C(C)C(OC)C(C=CN(C)CO)C)CCC(C)C(OC)CC4OC(=O)CC(OC(O)N)CC(C)CC(O)C(C)C(OC)c1nc(oc1)c2nc(oc2)c3nc(oc3)C=CCC(OC)C4C | | InChi: | InChI=1S/C48H75N5O14/c1-27-19-33(66-48(49)58)21-43(57)67-41(22-40(60-9)28(2)15-16-37(55)30(4)44(61-10)29(3)17-18-53(7)26-54)32(6)39(59-8)13-12-14-42-50-35(24-63-42)46-52-36(25-65-46)47-51-34(23-64-47)45(62-11)31(5)38(56)20-27/h12,14,17-18,23-25,27-33,38-41,44-45,48,54,56,58H,13,15-16,19-22,26,49H2,1-11H3/b14-12+,18-17+/t27-,28-,29+,30-,31-,32+,33-,38-,39-,40-,41-,44+,45+,48+/m0/s1 | | Definition date: | 2003-09-19 | | Last modified: | 2011-06-04 | | Identifier: | (10R,11S,12S,14R,16S,20S,21R,22S,24E)-16-[(R)-amino(hydroxy)methoxy]-12-hydroxy-20-{(2S,3S,7R,8R,9R,10E)-11-[(hydroxymethyl)(methyl)amino]-2,8-dimethoxy-3,7,9-trimethyl-6-oxoundec-10-en-1-yl}-10,22-dimethoxy-11,14,21-trimethyl-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1~2,5~.1~6,9~]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-18-one |
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 | | KBT | | Name: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile | | Formula: | C20 H23 N3 O3 | | SMILES: | CCCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C | | InChi: | InChI=1S/C20H23N3O3/c1-5-6-7-23-17(16(12(2)3)19(25)22-20(23)26)18(24)15-9-13(4)8-14(10-15)11-21/h8-10,12H,5-7H2,1-4H3,(H,22,25,26) | | Definition date: | 2010-01-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-(3-butyl-2,6-dioxo-5-propan-2-yl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile |
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 | | 170 | | Name: | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE | | Formula: | C21 H17 Cl2 F2 N9 O3 | | SMILES: | [O-][n+]1ccccc1C(F)(F)CNC2=NC=C(Cl)N(C2=O)CC(=O)NCc3cc(Cl)ccc3n4nnnc4 | | InChi: | InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H,26,35)(H,27,28) | | Definition date: | 2004-03-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide |
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 | | 17M | | Name: | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | | Formula: | C19 H22 O2 | | SMILES: | Oc2ccc1c3c(ccc1c2)C4CCC(O)(C4(CC3)C)C | | InChi: | InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1 | | Definition date: | 2005-09-29 | | Last modified: | 2011-06-04 | | Identifier: | (13alpha,17beta)-17-methylestra-1(10),2,4,6,8-pentaene-3,17-diol |
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 | | KD0 | | Name: | 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid | | Formula: | C8 H15 O11 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O | | InChi: | InChI=1S/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1 | | Definition date: | 2008-08-06 | | Last modified: | 2011-06-04 | | Identifier: | 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid |
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 | | KGC | | Name: | N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE | | Formula: | C11 H18 N2 O6 | | SMILES: | O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N | | InChi: | InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1 | | Definition date: | 2007-01-15 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(2R)-2-carboxy-5-oxotetrahydrofuran-2-yl]-L-lysine |
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 | | MB9 | | Name: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | | Formula: | C17 H17 Cl N4 O | | SMILES: | Clc4ccc3c(n(c2C(=O)NC1(CCNCC1)C(C#N)c23)C)c4 | | InChi: | InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1 | | Definition date: | 2008-05-01 | | Last modified: | 2011-06-04 | | Identifier: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
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 | | MC3 | | Name: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C36 H72 N O8 P | | SMILES: | O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC | | InChi: | InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1 | | Definition date: | 2005-10-18 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2,3-bis(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
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 | | MCA | | Name: | METHYLMALONYL-COENZYME A | | Formula: | C25 H40 N7 O19 P3 S | | SMILES: | O=C(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,5R,9R,20R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) |
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 | | MCD | | Name: | METHYLMALONYL(CARBADETHIA)-COENZYME A | | Formula: | C26 H42 N7 O19 P3 | | SMILES: | O=C(O)C(C(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C26H42N7O19P3/c1-13(25(39)40)14(34)5-4-7-28-16(35)6-8-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-15-19(51-53(41,42)43)18(36)24(50-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,4-10H2,1-3H3,(H,28,35)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t13-,15+,18+,19+,20-,24+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3S,5R,9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,20-trimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphahenicosan-21-oic acid 3,5-dioxide (non-preferred name) |
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 | | MCF | | Name: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol | | Formula: | C12 H18 N4 O4 S | | SMILES: | n2c1c(N=CNCC1O)n(c2)C3OC(C(O)C3O)CSC | | InChi: | InChI=1S/C12H18N4O4S/c1-21-3-7-9(18)10(19)12(20-7)16-5-15-8-6(17)2-13-4-14-11(8)16/h4-7,9-10,12,17-19H,2-3H2,1H3,(H,13,14)/t6-,7-,9-,10-,12-/m1/s1 | | Definition date: | 2008-10-17 | | Last modified: | 2011-06-04 | | Identifier: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol |
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 | | MDE | | Name: | 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A | | Formula: | C33 H55 N7 O18 P3 S2 | | SMILES: | O=CCSC(CCCCC)C/C=C/C(=O)SCCNC(=O)CCNC(O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C33H54N7O18P3S2/c1-4-5-6-8-21(62-16-14-41)9-7-10-24(43)63-15-13-35-23(42)11-12-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h7,10,14,19-22,26-27,31-32,36,44,46H,4-6,8-9,11-13,15-18H2,1-3H3,(H7,34,35,37,38,42,47,48,49,50,51,52,53)/p+1/b10-7+/t21-,22+,26+,27+,31+,32+/m0/s1 | | Definition date: | 2003-07-10 | | Last modified: | 2011-06-04 | | Identifier: | 6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3R,5S,10R,20E,23S)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3,5-diphosphahexacos-20-en-1-yl]tetrahydrofuran-2-yl}-7H-purin-9-ium (non-preferred name) |
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 | | MGP | | Name: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE | | Formula: | C11 H19 N5 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c[n+](c1c2N=C(N)NC1=O)C)C(O)C3O | | InChi: | InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2001-05-16 | | Last modified: | 2011-06-04 | | Identifier: | 7-methylguanosine 5'-(tetrahydrogen triphosphate) |
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 | | MGT | | Name: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE | | Formula: | C11 H20 N5 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O | | InChi: | InChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 7-methylguanosine 5'-(tetrahydrogen triphosphate) |
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 | | MHC | | Name: | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE | | Formula: | C14 H16 N2 O S | | SMILES: | O=C(N3CCc2c1ccccc1nc2C3)CCS | | InChi: | InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2 | | Definition date: | 2002-12-06 | | Last modified: | 2011-06-04 | | Identifier: | 3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol |
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