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TPC
TPC
表記:5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID
組成式:C9 H14 N3 O6 P S
SMILES:O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
定義日:2004-10-06
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-S-phosphono-5'-thiocytidine
TPD
TPD
表記:N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE
組成式:C9 H10 N2 O4 S4
SMILES:O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N
InChi:InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13)
定義日:2001-03-28
最終更新日:2011-06-04
識別子（ID）:N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide
TPE
TPE
表記:3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER)
組成式:C18 H22 N2 O12 P2
SMILES:O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C
InChi:InChI=1S/C18H22N2O12P2/c1-11-9-20(18(23)19-17(11)22)16-8-14(29-12(2)21)15(30-16)10-28-33(24,25)32-34(26,27)31-13-6-4-3-5-7-13/h3-7,9,14-16H,8,10H2,1-2H3,(H,24,25)(H,26,27)(H,19,22,23)/t14-,15+,16+/m0/s1
定義日:2000-03-09
最終更新日:2011-06-04
識別子（ID）:3'-O-acetyl-5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine
0CL
0CL
表記:1,3-dichloropropane
組成式:C3 H6 Cl2
SMILES:ClCCCCl
InChi:InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
定義日:2009-02-17
最終更新日:2011-06-04
識別子（ID）:1,3-dichloropropane
TPG
TPG
表記:2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
組成式:C23 H35 N10 O18 P3
SMILES:CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)C(=O)N1
InChi:InChI=1S/C23H35N10O18P3/c1-30(2)23-27-17-11(19(39)29-23)31(3)7-33(17)21-15(37)13(35)9(49-21)5-47-53(42,43)51-54(44,45)50-52(40,41)46-4-8-12(34)14(36)20(48-8)32-6-25-10-16(32)26-22(24)28-18(10)38/h6,8-9,12-15,20-21,34-37H,4-5,7H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)(H,27,29,39)(H3,24,26,28,38)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
定義日:2004-10-01
最終更新日:2011-06-04
識別子（ID）:[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(2-dimethylamino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
TPI
TPI
表記:4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID
組成式:C17 H17 F2 N2 O7 P
SMILES:O=C(N)C(NC(=O)c1ccc2c(c1)ccc(c2)C(F)(F)P(=O)(O)O)CCC(=O)O
InChi:InChI=1S/C17H17F2N2O7P/c18-17(19,29(26,27)28)12-4-3-9-7-11(2-1-10(9)8-12)16(25)21-13(15(20)24)5-6-14(22)23/h1-4,7-8,13H,5-6H2,(H2,20,24)(H,21,25)(H,22,23)(H2,26,27,28)/t13-/m0/s1
定義日:1999-08-24
最終更新日:2011-06-04
識別子（ID）:N~2~-({6-[difluoro(phosphono)methyl]naphthalen-2-yl}carbonyl)-L-alpha-glutamine
0CO
0CO
表記:(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
組成式:C28 H44 O4
SMILES:OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)(C)C
InChi:InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22-,23+,24+,25+,27+,28+/m1/s1
定義日:2008-05-13
最終更新日:2011-06-04
識別子（ID）:(1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
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
TPM
TPM
表記:2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM
組成式:C12 H18 N3
SMILES:c1(ccc(N)cc1)CNC2=[NH+]CCCC2
InChi:InChI=1S/C12H17N3/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7H,1-3,8-9,13H2,(H,14,15)/p+1
定義日:2000-06-16
最終更新日:2011-06-04
識別子（ID）:6-[(4-aminobenzyl)amino]-2,3,4,5-tetrahydropyridinium
TPP
TPP
表記:THIAMINE DIPHOSPHATE
組成式:C12 H19 N4 O7 P2 S
SMILES:O=P(O)(O)OP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
TPR
TPR
表記:TOSYL-D-PROLINE
組成式:C12 H15 N O4 S
SMILES:O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2
InChi:InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
定義日:2000-06-13
最終更新日:2011-06-04
識別子（ID）:1-[(4-methylphenyl)sulfonyl]-D-proline
TPS
TPS
表記:THIAMIN PHOSPHATE
組成式:C12 H18 N4 O4 P S
SMILES:O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
TPU
TPU
表記:2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-METHYL-1H-1,2,3-TRIAZOL-4-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
組成式:C11 H18 N6 O7 P2
SMILES:O=P(O)(O)OP(=O)(OCCc1nnn(c1C)Cc2cnc(nc2N)C)O
InChi:InChI=1S/C11H18N6O7P2/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)15-16-17(7)6-9-5-13-8(2)14-11(9)12/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,12,13,14)(H2,18,19,20)
定義日:2009-10-16
最終更新日:2011-06-04
識別子（ID）:2-{1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-methyl-1H-1,2,3-triazol-4-yl}ethyl trihydrogen diphosphate
0DC
0DC
表記:2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE
組成式:C9 H14 N3 O7 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
InChi:InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
定義日:2009-07-16
最終更新日:2011-06-04
識別子（ID）:4-amino-1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one
TPZ
TPZ
表記:O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine
組成式:C9 H18 N O7 P S
SMILES:O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCCS
InChi:InChI=1S/C9H18NO7PS/c1-6(17-18(14,15)16)8(9(12)13)10-7(11)4-2-3-5-19/h6,8,19H,2-5H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)/t6-,8+/m1/s1
定義日:2010-03-10
最終更新日:2011-06-04
識別子（ID）:O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine
0DG
0DG
表記:2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m1/s1
定義日:2000-07-16
最終更新日:2011-06-04
識別子（ID）:2-amino-9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one
TQ3
TQ3
表記:5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE
組成式:C14 H12 N4 S
SMILES:n3c2c(c(Sc1ccccc1)ccc2)c(nc3N)N
InChi:InChI=1S/C14H12N4S/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
定義日:2001-03-23
最終更新日:2011-06-04
識別子（ID）:5-(phenylsulfanyl)quinazoline-2,4-diamine
TQ4
TQ4
表記:5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE
組成式:C15 H14 N4 S
SMILES:n3c2c(c(Sc1ccc(cc1)C)ccc2)c(nc3N)N
InChi:InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
定義日:2001-03-23
最終更新日:2011-06-04
識別子（ID）:5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine
TQ5
TQ5
表記:5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE
組成式:C18 H20 N4 S
SMILES:n3c2c(c(Sc1ccc(cc1)C(C)(C)C)ccc2)c(nc3N)N
InChi:InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
定義日:2001-03-23
最終更新日:2011-06-04
識別子（ID）:5-[(4-tert-butylphenyl)sulfanyl]quinazoline-2,4-diamine
TQ6
TQ6
表記:5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE
組成式:C18 H19 N5 O S
SMILES:n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC2)cc3
InChi:InChI=1S/C18H19N5OS/c19-17-16-14(21-18(20)22-17)2-1-3-15(16)25-13-6-4-12(5-7-13)23-8-10-24-11-9-23/h1-7H,8-11H2,(H4,19,20,21,22)
定義日:2001-03-23
最終更新日:2011-06-04
識別子（ID）:5-[(4-morpholin-4-ylphenyl)sulfanyl]quinazoline-2,4-diamine
0DT
0DT
表記:2'-DEOXY-L-RIBO-FURANOSYL THYMIDINE-5'-MONOPHOSPHATE
組成式:C10 H15 N2 O8 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
定義日:2009-07-27
最終更新日:2011-06-04
識別子（ID）:1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
TQD
TQD
表記:(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
組成式:C19 H29 N5 O3
SMILES:COc1cc(cc(OC)c1OC)N(C)C[CH]2CCC3=C(C2)C(=N[CH](N)N3)N
InChi:InChI=1S/C19H29N5O3/c1-24(12-8-15(25-2)17(27-4)16(9-12)26-3)10-11-5-6-14-13(7-11)18(20)23-19(21)22-14/h8-9,11,19,22H,5-7,10,21H2,1-4H3,(H2,20,23)/t11-,19+/m0/s1
定義日:2004-01-19
最終更新日:2011-06-04
識別子（ID）:(2R)-6-[[methyl-(3,4,5-trimethoxyphenyl)amino]methyl]-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
TQI
TQI
表記:N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN
組成式:C18 H14 Cl F3 N2 O4 S
SMILES:OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F
InChi:InChI=1S/C18H14ClF3N2O4S/c19-14-6-5-11(8-13(14)18(20,21)22)29(27,28)24-16(17(25)26)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,16,23-24H,7H2,(H,25,26)/t16-/m0/s1
定義日:2011-01-20
最終更新日:2011-06-04
識別子（ID）:(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
TQJ
TQJ
表記:N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE
組成式:C19 H25 Br N6 O4 S
SMILES:ON(C=O)[CH](CCCc1ncccn1)C[S](=O)(=O)N2CCN(CC2)c3ccc(Br)cn3
InChi:InChI=1S/C19H25BrN6O4S/c20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t17-/m0/s1
定義日:2011-01-21
最終更新日:2011-06-04
識別子（ID）:N-[(2S)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-5-pyrimidin-2-yl-pentan-2-yl]-N-hydroxy-methanamide
TQP
TQP
表記:(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C24 H35 N4 O19 P3
SMILES:O=P(OC2OC(C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O
InChi:InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20-,21-,23-/m1/s1
定義日:2009-01-12
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

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