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RVP
RVP
表記:RIBAVIRIN MONOPHOSPHATE
組成式:C8 H13 N4 O8 P
SMILES:O=C(c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:InChI=1S/C8H13N4O8P/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(20-8)1-19-21(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1
定義日:2002-08-09
最終更新日:2011-06-04
識別子（ID）:1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
PH3
PH3
表記:N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
組成式:C7 H8 Cl N3 O
SMILES:Clc1ccc(NC(=[N@H])NO)cc1
InChi:InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
定義日:1999-12-16
最終更新日:2011-06-04
識別子（ID）:1-(4-chlorophenyl)-3-hydroxyguanidine
P29
P29
表記:4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
組成式:C17 H15 N9
SMILES:N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc3ccccc3
InChi:InChI=1S/C17H15N9/c18-8-12-9-22-26-15(12)24-16(23-13-4-2-1-3-5-13)25-17(26)20-7-6-14-10-19-11-21-14/h1-5,9-11H,6-7H2,(H,19,21)(H2,20,23,24,25)
定義日:2007-05-11
最終更新日:2011-06-04
識別子（ID）:4-{[2-(1H-imidazol-5-yl)ethyl]amino}-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
YES
YES
表記:3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
組成式:C9 H20 O5
SMILES:OCC(C(CCO)CCO)(CO)CO
InChi:InChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2
定義日:2009-03-19
最終更新日:2011-06-04
識別子（ID）:3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
UD0
UD0
表記:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
組成式:C25 H34 N5 O22 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O
InChi:InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15+,16+,18-,19-,20-,21-,22+,24+/m0/s1
定義日:2010-07-13
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
PH4
PH4
表記:3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
組成式:C5 H13 N O10 P2
SMILES:O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O
InChi:InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)
定義日:2008-02-04
最終更新日:2011-06-04
識別子（ID）:3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
P2A
P2A
表記:1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE
組成式:C7 H13 O8 P
SMILES:O=P(O)(OCC(OC(=O)C)COC(=O)C)O
InChi:InChI=1S/C7H13O8P/c1-5(8)13-3-7(15-6(2)9)4-14-16(10,11)12/h7H,3-4H2,1-2H3,(H2,10,11,12)/t7-/m1/s1
定義日:2004-06-14
最終更新日:2011-06-04
識別子（ID）:(2R)-3-(phosphonooxy)propane-1,2-diyl diacetate
NST
NST
表記:3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
組成式:C11 H8 N2 O6 S2
SMILES:O=C(O)c1sccc1S(=O)(=O)Nc2cccc([N+]([O-])=O)c2
InChi:InChI=1S/C11H8N2O6S2/c14-11(15)10-9(4-5-20-10)21(18,19)12-7-2-1-3-8(6-7)13(16)17/h1-6,12H,(H,14,15)
定義日:2004-09-27
最終更新日:2011-06-04
識別子（ID）:3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid
ZZ9
ZZ9
表記:5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
組成式:C21 H36 N5 O8 P
SMILES:O=P(O)(OC(O)CCCCCCCCCC)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C21H36N5O8P/c1-2-3-4-5-6-7-8-9-10-15(27)34-35(30,31)32-11-14-17(28)18(29)21(33-14)26-13-25-16-19(22)23-12-24-20(16)26/h12-15,17-18,21,27-29H,2-11H2,1H3,(H,30,31)(H2,22,23,24)/t14-,15-,17-,18-,21-/m1/s1
定義日:2009-05-19
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine
ZIN
ZIN
表記:7-(pyridin-2-ylmethyl)quinolin-8-ol
組成式:C15 H12 N2 O
SMILES:Oc1c(ccc2cccnc12)Cc3ncccc3
InChi:InChI=1S/C15H12N2O/c18-15-12(10-13-5-1-2-8-16-13)7-6-11-4-3-9-17-14(11)15/h1-9,18H,10H2
定義日:2009-09-15
最終更新日:2011-06-04
識別子（ID）:7-(pyridin-2-ylmethyl)quinolin-8-ol
UD1
UD1
表記:URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
組成式:C17 H27 N3 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
ZZA
ZZA
表記:1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
組成式:C10 H8 N2 O2
SMILES:O=C(O)c1cn(nc1)c2ccccc2
InChi:InChI=1S/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
定義日:2007-09-27
最終更新日:2011-06-04
識別子（ID）:1-phenyl-1H-pyrazole-4-carboxylic acid
5MR
5MR
表記:NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE
組成式:C30 H29 N4 O5 P
SMILES:O=C(N)C(NC(=O)C(CP(=O)(O)c1ccccc1)Cc3onc(c2ccccc2)c3)Cc5c4ccccc4nc5
InChi:InChI=1S/C30H29N4O5P/c31-29(35)28(16-21-18-32-26-14-8-7-13-25(21)26)33-30(36)22(19-40(37,38)24-11-5-2-6-12-24)15-23-17-27(34-39-23)20-9-3-1-4-10-20/h1-14,17-18,22,28,32H,15-16,19H2,(H2,31,35)(H,33,36)(H,37,38)/t22-,28+/m1/s1
定義日:2007-02-16
最終更新日:2011-06-04
識別子（ID）:Nalpha-{(2S)-3-[(S)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-L-tryptophanamide
ZZB
ZZB
表記:[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE
組成式:C19 H22 B F N6 O8 P
SMILES:CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F
InChi:InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1
定義日:2009-04-06
最終更新日:2011-06-04
識別子（ID）:[(1S,3S,5R,6R,8R)-6-(6-aminopurin-9-yl)-4'-ethylamino-3'-fluoro-spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
X0J
X0J
表記:4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide
組成式:C42 H46 N6 O5 S2
SMILES:[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4cc(c3ccccc3)ccc4)CC5)cc6
InChi:InChI=1S/C42H46N6O5S2/c1-45(2)23-22-36(31-54-38-14-7-4-8-15-38)43-40-21-20-39(29-41(40)48(50)51)55(52,53)44-42(49)34-16-18-37(19-17-34)47-26-24-46(25-27-47)30-32-10-9-13-35(28-32)33-11-5-3-6-12-33/h3-21,28-29,36,43H,22-27,30-31H2,1-2H3,(H,44,49)/t36-/m1/s1
定義日:2009-08-19
最終更新日:2011-06-04
識別子（ID）:4-[4-(biphenyl-3-ylmethyl)piperazin-1-yl]-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide
PH7
PH7
表記:(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID
組成式:C22 H16 Br N O4
SMILES:Brc3ccccc3Oc2ccc(/C=C(/C(=O)O)NC(=O)c1ccccc1)cc2
InChi:InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14-
定義日:2005-02-22
最終更新日:2011-06-04
識別子（ID）:(2Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoic acid
5MS
5MS
表記:N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
組成式:C18 H18 N4 O2 S
SMILES:O=S(=O)(Nc1c(ccc(c1)Nc3ncnc(c2ccccc2)c3)C)C
InChi:InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)
定義日:2008-10-22
最終更新日:2011-06-04
識別子（ID）:N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
ZZC
ZZC
表記:[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE
組成式:C15 H21 N5 O13 P2
SMILES:CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:InChI=1S/C15H23N5O13P2/c1-6(21)10(23)7(22)2-30-34(26,27)33-35(28,29)31-3-8-11(24)12(25)15(32-8)20-5-19-9-13(16)17-4-18-14(9)20/h4-5,7-8,10-12,15,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t7-,8-,10+,11-,12-,15-/m1/s1
定義日:2009-07-23
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R)-2,3-dihydroxy-4-oxo-pentoxy]-oxido-phosphoryl] phosphate
UD5
UD5
表記:5-FLUOROURIDINE
組成式:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(20-8)2-19-21(17)18/h1,4-6,8,13-14,17-18H,2H2,(H,11,15,16)/t4-,5-,6-,8-/m1/s1
定義日:2005-06-01
最終更新日:2011-06-04
識別子（ID）:5'-O-(dihydroxyphosphanyl)-5-fluorouridine
NSX
NSX
表記:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
組成式:C57 H64 N8 O6
SMILES:O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)cc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6
InChi:InChI=1S/C57H64N8O6/c58-57(59)62-35-12-20-50(56(71)65-51(37-41-25-31-48(66)32-26-41)54(69)61-36-33-40-13-4-1-5-14-40)64-55(70)49(63-53(68)39-43-23-29-47(30-24-43)45-17-8-3-9-18-45)19-10-11-34-60-52(67)38-42-21-27-46(28-22-42)44-15-6-2-7-16-44/h1-9,13-18,21-32,49-51,66H,10-12,19-20,33-39H2,(H,60,67)(H,61,69)(H,63,68)(H,64,70)(H,65,71)(H4,58,59,62)/t49-,50+,51-/m0/s1
定義日:2009-07-22
最終更新日:2011-06-04
識別子（ID）:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide
NEI
NEI
表記:(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
組成式:C12 H15 I N6 O4
SMILES:Ic1nc(c2ncn(c2n1)C3OC(C(=O)NCC)C(O)C3O)N
InChi:InChI=1S/C12H15IN6O4/c1-2-15-10(22)7-5(20)6(21)11(23-7)19-3-16-4-8(14)17-12(13)18-9(4)19/h3,5-7,11,20-21H,2H2,1H3,(H,15,22)(H2,14,17,18)/t5-,6+,7-,11+/m0/s1
定義日:2006-06-16
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)
XFE
XFE
表記:(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
組成式:C11 H15 N5
SMILES:n1cnc(c2c(cnc12)C)N3CCC(N)C3
InChi:InChI=1S/C11H15N5/c1-7-4-13-10-9(7)11(15-6-14-10)16-3-2-8(12)5-16/h4,6,8H,2-3,5,12H2,1H3,(H,13,14,15)/t8-/m1/s1
定義日:2010-05-07
最終更新日:2011-06-04
識別子（ID）:(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PH9
PH9
表記:(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID
組成式:C26 H28 Br N O4
SMILES:Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24CC3CC(CC(C2)C3)C4
InChi:InChI=1S/C26H28BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,17-19,22H,9-15H2,(H,28,31)(H,29,30)/t17-,18+,19-,22?,26+
定義日:2005-03-18
最終更新日:2011-06-04
識別子（ID）:O-(2-bromophenyl)-N-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]-D-tyrosine
NSY
NSY
表記:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
組成式:C57 H64 N8 O5
SMILES:O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6
InChi:InChI=1S/C57H64N8O5/c58-57(59)62-36-15-25-50(56(70)65-51(38-42-18-7-2-8-19-42)54(68)61-37-34-41-16-5-1-6-17-41)64-55(69)49(63-53(67)40-44-28-32-48(33-29-44)46-22-11-4-12-23-46)24-13-14-35-60-52(66)39-43-26-30-47(31-27-43)45-20-9-3-10-21-45/h1-12,16-23,26-33,49-51H,13-15,24-25,34-40H2,(H,60,66)(H,61,68)(H,63,67)(H,64,69)(H,65,70)(H4,58,59,62)/t49-,50+,51-/m0/s1
定義日:2009-07-30
最終更新日:2011-06-04
識別子（ID）:N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
5MU
5MU
表記:5-METHYLURIDINE 5'-MONOPHOSPHATE
組成式:C10 H15 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5-methyluridine 5'-(dihydrogen phosphate)

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