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VO4
VO4
表記:VANADATE ION
組成式:O4 V
SMILES:[O-][V]([O-])([O-])=O
InChi:InChI=1S/4O.V/q
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:trioxido(oxo)vanadium
ALR
ALR
表記:ALRESTATIN
組成式:C14 H9 N O4
SMILES:O=C2c1c3c(ccc1)cccc3C(=O)N2CC(=O)O
InChi:InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
ALU
ALU
表記:METHYL HYDROGEN (S)-ACETYLPHOSPHONATE
組成式:C3 H7 O4 P
SMILES:O=C(C)P(=O)(O)OC
InChi:InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)
定義日:2007-12-14
最終更新日:2011-06-04
識別子（ID）:methyl hydrogen (S)-acetylphosphonate
AM0
AM0
表記:N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
組成式:C25 H23 N7 O3
SMILES:O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C
InChi:InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
AM3
AM3
表記:(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
組成式:C15 H28 N2 O5
SMILES:N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC
InChi:InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11+,12+,13-,14+/m1/s1
定義日:2009-04-07
最終更新日:2011-06-04
識別子（ID）:(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol
AM4
AM4
表記:4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE
組成式:C8 H10 N2 O2 S
SMILES:O=S(=O)(c1ccc(C(=[N@H])N)cc1)C
InChi:InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
定義日:2004-07-15
最終更新日:2011-06-04
識別子（ID）:4-(methylsulfonyl)benzenecarboximidamide
AM5
AM5
表記:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
組成式:C31 H30 F3 N7 O2
SMILES:FC(F)(F)c1cccc(c1)NC(=O)c2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
AM6
AM6
表記:2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
組成式:C32 H32 F3 N7 O2
SMILES:FC(F)(F)c1cccc(c1C)C(=O)Nc2cc(c(cc2)C)C(=O)Nc3cnc(nc3)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C32H32F3N7O2/c1-20-7-8-23(38-29(43)26-5-4-6-28(21(26)2)32(33,34)35)17-27(20)30(44)39-24-18-36-31(37-19-24)40-22-9-11-25(12-10-22)42-15-13-41(3)14-16-42/h4-12,17-19H,13-16H2,1-3H3,(H,38,43)(H,39,44)(H,36,37,40)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide
AM7
AM7
表記:2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one
組成式:C35 H35 F N4 O5
SMILES:O=C1N(C(=NC=C1c5ccc(Oc4ccnc3cc(OCCCN2CCOCC2)c(OC)cc34)c(F)c5)Cc6ccccc6)C
InChi:InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
定義日:2007-10-03
最終更新日:2011-06-04
識別子（ID）:2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one
AM8
AM8
表記:N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
組成式:C23 H22 Cl N3 O3 S
SMILES:Clc1cccc(c1)N(C)S(=O)(=O)C4=CC=2C(=NC(=O)C=2Cc3c(c(c(n3)C)C)C)C=C4
InChi:InChI=1S/C23H22ClN3O3S/c1-13-14(2)22(25-15(13)3)12-20-19-11-18(8-9-21(19)26-23(20)28)31(29,30)27(4)17-7-5-6-16(24)10-17/h5-11,25H,12H2,1-4H3
定義日:2007-10-03
最終更新日:2011-06-04
識別子（ID）:N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
AM9
AM9
表記:6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one
組成式:C31 H30 N8 O
SMILES:O=C3N(c1c(cccc1C)C)c6nc7ccccc7n6c2nc(ncc23)Nc4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)
定義日:2008-01-21
最終更新日:2011-06-04
識別子（ID）:6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one
AMB
AMB
表記:L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID
組成式:C5 H9 N O3
SMILES:O=C(O)C(/C=COC)N
InChi:InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
定義日:1999-09-21
最終更新日:2011-06-04
識別子（ID）:(2S,3Z)-2-amino-4-methoxybut-3-enoic acid
AMC
AMC
表記:AMINOMETHYLCYCLOHEXANE
組成式:C7 H16 N
SMILES:[NH3+]CC1CCCCC1
InChi:InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2/p+1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:cyclohexylmethanaminium
AMF
AMF
表記:(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
組成式:C15 H28 N2 O4 S
SMILES:N(=C1SCC2N1C(O)C(O)C(O)C2O)CCCCCCCC
InChi:InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1
定義日:2009-04-07
最終更新日:2011-06-04
識別子（ID）:(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol
AMH
AMH
表記:TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
組成式:C8 H15 N O2
SMILES:O=C(O)C1CCC(CN)CC1
InChi:InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:trans-4-(aminomethyl)cyclohexanecarboxylic acid
AMI
AMI
表記:ALLOSAMIZOLINE
組成式:C9 H16 N2 O4
SMILES:N1=C(OC2C1C(O)C(O)C2CO)N(C)C
InChi:InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
AMJ
AMJ
表記:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
組成式:C13 H18 N2 O3
SMILES:O=C(NC(C(=O)NCc1ccccc1)COC)C
InChi:InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
定義日:2009-07-30
最終更新日:2011-06-04
識別子（ID）:N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
AMM
AMM
表記:(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SILYL]METHYL}-4-METHYLPENTANAL
組成式:C8 H19 N O3 Si
SMILES:O=CC(CC(C)C)C[Si](O)(O)CN
InChi:InChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1
定義日:2005-01-14
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[(aminomethyl)(dihydroxy)silyl]methyl}-4-methylpentanal
AMO
AMO
表記:ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE
組成式:C14 H19 N6 O10 P
SMILES:O=C(O)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
定義日:2000-11-16
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-{[(2S)-2-amino-3-carboxypropanoyl]oxy}(hydroxy)phosphoryl]adenosine
AMS
AMS
表記:3-MERCURI-4-AMINOBENZENESULFONAMIDE
組成式:C6 H7 Hg N2 O2 S
SMILES:O=S(=O)(c1cc([Hg])c(N)cc1)N
InChi:InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2-amino-5-sulfamoylphenyl)mercury
AMT
AMT
表記:2-AMINOTHIAZOLE
組成式:C3 H4 N2 S
SMILES:n1ccsc1N
InChi:InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1,3-thiazol-2-amine
AMW
AMW
表記:ADENOSINE MONOTUNGSTATE
組成式:C10 H14 N5 O7 W
SMILES:O=[W](O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(adenosinato-kappaO~5'~)(dihydroxy)oxotungsten
AMX
AMX
表記:AMIDOCARBOXYMETHYLDETHIA COENZYME *A
組成式:C23 H39 N8 O17 P3
SMILES:O=C(N)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
InChi:InChI=1S/C23H39N8O17P3/c1-23(2,18(35)21(36)27-7-5-14(33)26-6-3-4-13(24)32)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H2,24,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
AMY
AMY
表記:ANTIMYCIN
組成式:C27 H38 N2 O9
SMILES:O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)CC(C)C)C(C(=O)OC2C)CCCCC)C
InChi:InChI=1S/C27H38N2O9/c1-6-7-8-10-19-24(38-21(31)13-15(2)3)17(5)37-27(35)22(16(4)36-26(19)34)29-25(33)18-11-9-12-20(23(18)32)28-14-30/h9,11-12,14-17,19,22,24,32H,6-8,10,13H2,1-5H3,(H,28,30)(H,29,33)/t16-,17+,19+,22-,24-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2S,3S,6R,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl 3-methylbutanoate (non-preferred name)
AN0
AN0
表記:N-ACETYL-L-NORVALINE
組成式:C7 H13 N O3
SMILES:O=C(NC(C(=O)O)CCC)C
InChi:InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
定義日:2005-06-08
最終更新日:2011-06-04
識別子（ID）:N-acetyl-L-norvaline

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