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AOL
AOL
表記:(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-1,2,3,4-TETROL
組成式:C5 H11 N O4
SMILES:OC1C(N)C(O)C(O)C1O
InChi:InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2+,3-,4+,5-
定義日:2006-01-24
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3S,4S,5r)-5-aminocyclopentane-1,2,3,4-tetrol
AOM
AOM
表記:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
組成式:C19 H32 O2
SMILES:OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4
InChi:InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1
定義日:2002-04-24
最終更新日:2011-06-04
識別子（ID）:(3alpha,5beta,8alpha,17beta)-androstane-3,17-diol
AON
AON
表記:5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
組成式:C19 H32 O2
SMILES:OC4CC3C(C1C(C2C(C)(CC1)C(O)CC2)CC3)(C)CC4
InChi:InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1
定義日:2002-04-24
最終更新日:2011-06-04
識別子（ID）:(3beta,5beta,17beta)-androstane-3,17-diol
05S
05S
表記:(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
組成式:C24 H32 N4 O2
SMILES:O=C(N)c1ccc4cc1NC(C)CNCCCc3c(c2C(=O)CC(Cc2n34)(C)C)C
InChi:InChI=1S/C24H32N4O2/c1-14-13-26-9-5-6-19-15(2)22-20(11-24(3,4)12-21(22)29)28(19)16-7-8-17(23(25)30)18(10-16)27-14/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m0/s1
定義日:2011-02-24
最終更新日:2011-06-04
識別子（ID）:(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
AP6
AP6
表記:2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE
組成式:C12 H14 N6
SMILES:n3c(nc2c(NC(c1ccccc1)CN2)c3N)N
InChi:InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1
定義日:1999-12-16
最終更新日:2011-06-04
識別子（ID）:(6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine
06H
06H
表記:(6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide
組成式:C25 H32 N4 O3
SMILES:C[CH]1Nc2cc(ccc2C(N)=O)n3c(CCCN(C)C1=O)c(C)c4C(=O)CC(C)(C)Cc34
InChi:InChI=1S/C25H32N4O3/c1-14-19-7-6-10-28(5)24(32)15(2)27-18-11-16(8-9-17(18)23(26)31)29(19)20-12-25(3,4)13-21(30)22(14)20/h8-9,11,15,27H,6-7,10,12-13H2,1-5H3,(H2,26,31)/t15-/m0/s1
定義日:2011-04-01
最終更新日:2011-06-04
06J
06J
表記:(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
組成式:C26 H34 N4 O2
SMILES:Cc1c2CCCN3CCC[CH]3CNc4cc(ccc4C(N)=O)n2c5CC(C)(C)CC(=O)c15
InChi:InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1
定義日:2011-04-01
最終更新日:2011-06-04
APR
APR
表記:ADENOSINE-5-DIPHOSPHORIBOSE
組成式:C15 H23 N5 O14 P2
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O
InChi:InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
APU
APU
表記:ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE
組成式:C19 H25 N7 O15 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(OP(=O)(O)O)C2O)COP(=O)(O)OC5C(OC(n4cnc3c(ncnc34)N)C5O)CO
InChi:InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3S,4R,5R)-2-({[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxytetrahydrofuran-3-yl dihydrogen phosphate (non-preferred name)
APX
APX
表記:2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHORIBOSE
組成式:C15 H29 N5 O17 P3
SMILES:O=P(O)(O)OC3C(O)C(OC3n1c2c(nc1)C(N)NC[NH2+]2)COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O
InChi:InChI=1S/C15H28N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h4-6,8-12,14-15,17-18,21-24H,1-3,16H2,(H,28,29)(H,30,31)(H2,25,26,27)/p+1/t5-,6-,8-,9-,10-,11-,12-,14-,15-/m1/s1
定義日:1999-09-29
最終更新日:2011-06-04
識別子（ID）:(6R)-6-amino-9-[(2R,3R,4R,5R)-4-hydroxy-5-({[(S)-hydroxy{[(R)-hydroxy{[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)-3-(phosphonooxy)tetrahydrofuran-2-yl]-2,3,6,9-tetrahydro-1H-purin-3-ium (non-preferred name)
AQP
AQP
表記:ADENOSINE-5'-TETRAPHOSPHATE
組成式:C10 H17 N5 O16 P4
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:2003-03-12
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine
ARC
ARC
表記:3,7,11,15-TETRAMETHYL-HEXADECAN-1-OL
組成式:C20 H42 O
SMILES:OCCC(CCCC(CCCC(C)CCCC(C)C)C)C
InChi:InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3/t18-,19-,20-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3S,7S,11S)-3,7,11,15-tetramethylhexadecan-1-ol
094
094
表記:1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE
組成式:C24 H18 Cl2 F2 N4 O S
SMILES:Clc1cccc(Cl)c1N3c2cc(c(nc2CNC3=O)Sc4ccc(F)cc4F)C5=CCNCC5
InChi:InChI=1S/C24H18Cl2F2N4OS/c25-16-2-1-3-17(26)22(16)32-20-11-15(13-6-8-29-9-7-13)23(31-19(20)12-30-24(32)33)34-21-5-4-14(27)10-18(21)28/h1-6,10-11,29H,7-9,12H2,(H,30,33)
定義日:2003-03-27
最終更新日:2011-06-04
識別子（ID）:1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one
ATC
ATC
表記:9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE
組成式:C25 H30 N4 O8
SMILES:O=C(Nc3c(O)c2C(=O)C1=C(O)C4(O)C(=O)C(C(=O)N)=C(O)C(N(C)C)C4CC1Cc2cc3)CN(C)C
InChi:InChI=1S/C25H30N4O8/c1-28(2)9-14(30)27-13-6-5-10-7-11-8-12-18(29(3)4)21(33)17(24(26)36)23(35)25(12,37)22(34)16(11)20(32)15(10)19(13)31/h5-6,11-12,18,31,33-34,37H,7-9H2,1-4H3,(H2,26,36)(H,27,30)/t11-,12-,18-,25-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S,4aS,5aR,12aS)-4-(dimethylamino)-9-[(N,N-dimethylglycyl)amino]-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
ATP
ATP
表記:ADENOSINE-5'-TRIPHOSPHATE
組成式:C10 H16 N5 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:adenosine 5'-(tetrahydrogen triphosphate)
AUP
AUP
表記:2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE
組成式:C24 H21 N2 P
SMILES:n1ccccc1c3c5c(c(c2ncccc2)p3c4ccccc4)CCCC5
InChi:InChI=1S/C24H21N2P/c1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22/h1-3,6-11,14-17H,4-5,12-13H2
定義日:2005-07-20
最終更新日:2011-06-04
識別子（ID）:2,2'-(2-phenyl-4,5,6,7-tetrahydro-2H-isophosphindole-1,3-diyl)dipyridine
P48
P48
表記:N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
組成式:C25 H32 N8 O
SMILES:O=C(NC)c3nn(c2c1nc(ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C
InChi:InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
定義日:2009-05-13
最終更新日:2011-06-04
識別子（ID）:N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
0CE
0CE
表記:2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one
組成式:C28 H28 N4 O2
SMILES:CC(C)n1c2ccc(cc2c3c4C=NC(=O)c4c5c(CCc6nn(C)cc56)c13)[CH]7CCCCO7
InChi:InChI=1S/C28H28N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12-15,23H,4-6,8-9,11H2,1-3H3/t23-/m0/s1
定義日:2010-01-13
最終更新日:2011-06-04
P4O
P4O
表記:2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
組成式:C21 H16 N4 O
SMILES:O=C2c1cc(nc1CCN2)c5ccnc(c3cc4ccccc4nc3)c5
InChi:InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
定義日:2006-12-09
最終更新日:2011-06-04
識別子（ID）:2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
P4P
P4P
表記:TETRAPHENYLPHOSPHONIUM
組成式:C24 H20 P
SMILES:c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
InChi:InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:tetraphenylphosphonium
0CP
0CP
表記:5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one
組成式:C18 H24 N2 O3
SMILES:COc1ccc(cc1O[CH]2C[CH]3CC[CH]2C3)C4CNC(=O)NC4
InChi:InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1
定義日:2009-11-11
最終更新日:2011-06-04
識別子（ID）:5-[3-[[(1R,4S,5S)-5-bicyclo[2.2.1]heptanyl]oxy]-4-methoxy-phenyl]-1,3-diazinan-2-one
P91
P91
表記:8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
組成式:C20 H15 Br Cl N3 O4
SMILES:Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(c(c3Br)C(=O)NCCO)C
InChi:InChI=1S/C20H15BrClN3O4/c1-25-12-8-10(9-4-2-3-5-11(9)22)13-15(19(28)24-18(13)27)14(12)16(21)17(25)20(29)23-6-7-26/h2-5,8,26H,6-7H2,1H3,(H,23,29)(H,24,27,28)
定義日:2008-04-10
最終更新日:2011-06-04
識別子（ID）:8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
PA7
PA7
表記:N-PROPYL CARBOXYAMIDO ADENOSINE
組成式:C13 H18 N6 O4
SMILES:O=C(NCCC)C3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C13H18N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
定義日:2004-07-23
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-propyltetrahydrofuran-2-carboxamide (non-preferred name)
PAI
PAI
表記:{[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-AMINO]-METHYL}-PHOSPHONIC ACID
組成式:C9 H23 N O13 P2
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)CN(CC(O)O)CP(=O)(O)O
InChi:InChI=1S/C9H23NO13P2/c11-5(1-10(2-7(13)14)4-24(17,18)19)8(15)9(16)6(12)3-23-25(20,21)22/h5-9,11-16H,1-4H2,(H2,17,18,19)(H2,20,21,22)/t5-,6-,8-,9-/m1/s1
定義日:2000-12-01
最終更新日:2011-06-04
識別子（ID）:1-deoxy-1-[(2,2-dihydroxyethyl)(phosphonomethyl)amino]-6-O-phosphono-D-mannitol
PAK
PAK
表記:9-CYANO PAULLONE
組成式:C17 H11 N3 O
SMILES:N#Cc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4
InChi:InChI=1S/C17H11N3O/c18-9-10-5-6-15-12(7-10)13-8-16(21)19-14-4-2-1-3-11(14)17(13)20-15/h1-7,20H,8H2,(H,19,21)
定義日:2004-04-26
最終更新日:2011-06-04
識別子（ID）:6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carbonitrile

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