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GX1
GX1
表記:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
組成式:C12 H19 N6 O6 P S
SMILES:O=P(O)(OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O6PS/c13-12-16-10-9(11(20)17-12)14-5-18(10)8-3-6(19)7(24-8)4-23-25(21,22)15-1-2-26/h5-8,19,26H,1-4H2,(H2,15,21,22)(H3,13,16,17,20)/t6-,7+,8+/m0/s1
定義日:2009-09-09
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
GYT
GYT
表記:BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE
組成式:C28 H50 N4 O17
SMILES:O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCCOCCOCCOCCCNC(=O)OC2OC(CO)C(O)C(O)C2NC(=O)C
InChi:InChI=1S/C28H50N4O17/c1-15(35)31-19-23(39)21(37)17(13-33)46-25(19)48-27(41)29-5-3-7-43-9-11-45-12-10-44-8-4-6-30-28(42)49-26-20(32-16(2)36)24(40)22(38)18(14-34)47-26/h17-26,33-34,37-40H,3-14H2,1-2H3,(H,29,41)(H,30,42)(H,31,35)(H,32,36)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1
定義日:2007-03-26
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 (15-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-15-oxo-4,7,10-trioxa-14-azapentadec-1-yl)carbamate (non-preferred name)
GZC
GZC
表記:N,N'''-{ethane-1,2-diylbis[nitrilo(E)methylylidene(4-hydroxybenzene-3,1-diyl)]}diguanidine
組成式:C18 H22 N8 O2
SMILES:NC(=N)Nc1ccc(O)c(C=NCCN=Cc2cc(NC(N)=N)ccc2O)c1
InChi:InChI=1S/C18H22N8O2/c19-17(20)25-13-1-3-15(27)11(7-13)9-23-5-6-24-10-12-8-14(26-18(21)22)2-4-16(12)28/h1-4,7-10,27-28H,5-6H2,(H4,19,20,25)(H4,21,22,26)/b23-9+,24-10+
定義日:2009-12-03
最終更新日:2011-06-04
識別子（ID）:1-[3-[(E)-2-[(E)-(5-carbamimidamido-2-hydroxy-phenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-phenyl]guanidine
H06
H06
表記:(E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
組成式:C14 H13 N5 O
SMILES:O=C(NN=Cc1ccc(C(=[N@H])N)cc1)c2cccnc2
InChi:InChI=1S/C14H13N5O/c15-13(16)11-5-3-10(4-6-11)8-18-19-14(20)12-2-1-7-17-9-12/h1-9H,(H3,15,16)(H,19,20)/b18-8+
定義日:2009-10-13
最終更新日:2011-06-04
識別子（ID）:4-{(E)-[2-(pyridin-3-ylcarbonyl)hydrazinylidene]methyl}benzenecarboximidamide
H0E
H0E
表記:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
組成式:C24 H29 N3 O4 S
SMILES:O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5
InChi:InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1
定義日:2009-04-10
最終更新日:2011-06-04
識別子（ID）:(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
H13
H13
表記:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
組成式:C23 H39 N O3
SMILES:O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCC
InChi:InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1
定義日:2009-04-22
最終更新日:2011-06-04
識別子（ID）:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
H15
H15
表記:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
組成式:C25 H43 N O3
SMILES:O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCC
InChi:InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1
定義日:2009-04-22
最終更新日:2011-06-04
識別子（ID）:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
4AC
4AC
表記:N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE
組成式:C11 H16 N3 O9 P
SMILES:O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
定義日:2001-01-18
最終更新日:2011-06-04
識別子（ID）:N-acetylcytidine 5'-(dihydrogen phosphate)
4AL
4AL
表記:[4-(aminomethyl)phenyl]methanol
組成式:C8 H11 N O
SMILES:NCc1ccc(CO)cc1
InChi:InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
定義日:2009-11-05
最終更新日:2011-06-04
識別子（ID）:[4-(aminomethyl)phenyl]methanol
4AP
4AP
表記:4-AMINOPYRIDINE
組成式:C5 H7 N2
SMILES:Nc1cc[nH+]cc1
InChi:InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-aminopyridinium
4AZ
4AZ
表記:4-(aminomethyl)benzoic acid
組成式:C8 H9 N O2
SMILES:NCc1ccc(cc1)C(O)=O
InChi:InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
定義日:2009-11-04
最終更新日:2011-06-04
識別子（ID）:4-(aminomethyl)benzoic acid
4BD
4BD
表記:5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
組成式:C11 H17 F2 N2 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)C(F)(F)P(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-29(19,20)11(12,13)30(21,22)28-31(23,24)25/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,21,22)(H,14,17,18)(H2,23,24,25)/t6-,7+,8+/m0/s1
定義日:2009-03-20
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]thymidine
4BE
4BE
表記:4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
組成式:C14 H9 Br3 N2 O3
SMILES:Brc1cc(c(O)c(Br)c1O)C=NNC(=O)c2ccc(Br)cc2
InChi:InChI=1S/C14H9Br3N2O3/c15-9-3-1-7(2-4-9)14(22)19-18-6-8-5-10(16)13(21)11(17)12(8)20/h1-6,20-21H,(H,19,22)/b18-6+
定義日:2008-07-16
最終更新日:2011-06-04
識別子（ID）:4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
4BH
4BH
表記:4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL
組成式:C13 H15 Cl N4 O2
SMILES:Clc1cc(c(O)cc1O)c2c(cnn2)N3CCNCC3
InChi:InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)
定義日:2006-01-18
最終更新日:2011-06-04
識別子（ID）:4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol
4BM
4BM
表記:N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
組成式:C16 H14 F3 I N2 O4
SMILES:O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F
InChi:InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
定義日:2008-10-13
最終更新日:2011-06-04
識別子（ID）:N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
4BO
4BO
表記:(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
組成式:C17 H18 N2 O4
SMILES:O=C(O)CC(N)C(=O)Nc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C17H18N2O4/c18-15(10-16(20)21)17(22)19-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,22)(H,20,21)/t15-/m0/s1
定義日:2008-03-18
最終更新日:2011-06-04
識別子（ID）:N-[4-(benzyloxy)phenyl]-L-alpha-asparagine
4BS
4BS
表記:4-amino-N-[4-(benzyloxy)phenyl]butanamide
組成式:C17 H20 N2 O2
SMILES:O=C(Nc2ccc(OCc1ccccc1)cc2)CCCN
InChi:InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)
定義日:2008-03-17
最終更新日:2011-06-04
識別子（ID）:4-amino-N-[4-(benzyloxy)phenyl]butanamide
4BU
4BU
表記:(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
組成式:C19 H22 N2 O5
SMILES:O=C(O)C(N)CCC(=O)Nc2ccc(OCC(O)c1ccccc1)cc2
InChi:InChI=1S/C19H22N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16-17,22H,10-12,20H2,(H,21,23)(H,24,25)/t16-,17+/m0/s1
定義日:2008-03-17
最終更新日:2011-06-04
識別子（ID）:N-{4-[(2S)-2-hydroxy-2-phenylethoxy]phenyl}-L-glutamine
4BX
4BX
表記:3-(1H-benzimidazol-2-yl)propanoic acid
組成式:C10 H10 N2 O2
SMILES:O=C(O)CCc2nc1ccccc1n2
InChi:InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14)
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:3-(1H-benzimidazol-2-yl)propanoic acid
4BZ
4BZ
表記:4-(HYDROXYMETHYL)BENZAMIDINE
組成式:C8 H10 N2 O
SMILES:OCc1ccc(C(=[N@H])N)cc1
InChi:InChI=1S/C8H10N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H3,9,10)
定義日:2004-01-26
最終更新日:2011-06-04
識別子（ID）:4-(hydroxymethyl)benzenecarboximidamide
4CB
4CB
表記:4-CARBOXYPHENYLBORONIC ACID
組成式:C7 H7 B O4
SMILES:O=C(O)c1ccc(B(O)O)cc1
InChi:InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
定義日:2001-11-20
最終更新日:2011-06-04
識別子（ID）:4-(dihydroxyboranyl)benzoic acid
4CD
4CD
表記:4-chloro-6-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
組成式:C18 H18 Cl N O3
SMILES:O=C(c1cc(Cl)c(O)cc1O)N3C(c2c(cccc2)C)CCC3
InChi:InChI=1S/C18H18ClNO3/c1-11-5-2-3-6-12(11)15-7-4-8-20(15)18(23)13-9-14(19)17(22)10-16(13)21/h2-3,5-6,9-10,15,21-22H,4,7-8H2,1H3/t15-/m1/s1
定義日:2009-10-22
最終更新日:2011-06-04
識別子（ID）:(5-chloro-2,4-dihydroxyphenyl)[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
4CH
4CH
表記:4-chlorophenol
組成式:C6 H5 Cl O
SMILES:Clc1ccc(O)cc1
InChi:InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
定義日:2009-01-13
最終更新日:2011-06-04
識別子（ID）:4-chlorophenol
4CL
4CL
表記:4-CHLOROBENZENE-1,2-DIOL
組成式:C6 H5 Cl O2
SMILES:Clc1cc(O)c(O)cc1
InChi:InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
定義日:2007-06-18
最終更新日:2011-06-04
識別子（ID）:4-chlorobenzene-1,2-diol
4CP
4CP
表記:2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE
組成式:C18 H20 Cl N5 O2 S
SMILES:Clc2ccc(SCC(=O)NC(C(=O)N)Cc1ccc(NC(=[N@H])N)cc1)cc2
InChi:InChI=1S/C18H20ClN5O2S/c19-12-3-7-14(8-4-12)27-10-16(25)24-15(17(20)26)9-11-1-5-13(6-2-11)23-18(21)22/h1-8,15H,9-10H2,(H2,20,26)(H,24,25)(H4,21,22,23)/t15-/m0/s1
定義日:2005-07-04
最終更新日:2011-06-04
識別子（ID）:4-carbamimidamido-Nalpha-{[(4-chlorophenyl)sulfanyl]acetyl}-L-phenylalaninamide

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