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NAB
NAB
表記:2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
組成式:C17 H12 N2 O3
SMILES:O=C(O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2
InChi:InChI=1S/C17H12N2O3/c20-16-10-9-15(11-5-1-2-6-12(11)16)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,20H,(H,21,22)/b19-18+
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzoic acid
NAD
NAD
表記:NICOTINAMIDE-ADENINE-DINUCLEOTIDE
組成式:C21 H27 N7 O14 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/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-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
NAE
NAE
表記:NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
組成式:C24 H31 N7 O15 P2
SMILES:CC(=O)Cc1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C24H31N7O15P2/c1-10(32)4-11-2-3-30(5-12(11)21(26)37)23-18(35)16(33)13(44-23)6-42-47(38,39)46-48(40,41)43-7-14-17(34)19(36)24(45-14)31-9-29-15-20(25)27-8-28-22(15)31/h2-3,5,8-9,13-14,16-19,23-24,33-36H,4,6-7H2,1H3,(H5-,25,26,27,28,37,38,39,40,41)/t13-,14-,16-,17-,18-,19-,23-,24-/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-[3-aminocarbonyl-4-(2-oxopropyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
43M
43M
表記:4-CHLORO-3-METHYLPHENOL
組成式:C7 H7 Cl O
SMILES:Clc1ccc(O)cc1C
InChi:InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
定義日:2007-04-16
最終更新日:2011-06-04
識別子（ID）:4-chloro-3-methylphenol
NAQ
NAQ
表記:NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT
組成式:C26 H35 N7 O15 P2
SMILES:CCC(=O)[CH](C)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C26H35N7O15P2/c1-3-14(34)11(2)12-4-5-32(6-13(12)23(28)39)25-20(37)18(35)15(46-25)7-44-49(40,41)48-50(42,43)45-8-16-19(36)21(38)26(47-16)33-10-31-17-22(27)29-9-30-24(17)33/h4-6,9-11,15-16,18-21,25-26,35-38H,3,7-8H2,1-2H3,(H5-,27,28,29,30,39,40,41,42,43)/t11-,15+,16+,18+,19+,20+,21+,25+,26+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-[3-aminocarbonyl-4-[(2S)-3-oxopentan-2-yl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
NAR
NAR
表記:NARINGENIN
組成式:C15 H12 O5
SMILES:O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O
InChi:InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
NAS
NAS
表記:2-NAPHTHALENESULFONIC ACID
組成式:C10 H8 O3 S
SMILES:O=S(=O)(O)c2ccc1c(cccc1)c2
InChi:InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:naphthalene-2-sulfonic acid
440
440
表記:3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
組成式:C13 H16 O3 S2
SMILES:O=S(=O)(c1ccc(OCC#CC)cc1)CCCS
InChi:InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3
定義日:2007-11-05
最終更新日:2011-06-04
識別子（ID）:3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
444
444
表記:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE
組成式:C17 H12 F9 N O3 S
SMILES:O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)CC(F)(F)F)c2ccccc2
InChi:InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
定義日:2003-07-18
最終更新日:2011-06-04
識別子（ID）:N-(2,2,2-trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide
NB1
NB1
表記:(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
組成式:C10 H17 N O4 S
SMILES:N1=C(SC2OC(C(O)C(O)C12)CO)CCC
InChi:InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1
定義日:2006-08-31
最終更新日:2011-06-04
識別子（ID）:(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-propyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
448
448
表記:(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
組成式:C17 H17 F6 N5 O
SMILES:Fc1cc(c(F)cc1F)CC(N)CC(=O)N3C(c2nc(nn2CC3)C(F)(F)F)C
InChi:InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1
定義日:2007-07-25
最終更新日:2011-06-04
識別子（ID）:(2R)-4-[(8R)-8-methyl-2-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-amine
44B
44B
表記:1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL
組成式:C11 H8 F9 N O
SMILES:FC(F)(F)C(O)(c1ccc(NCC(F)(F)F)cc1)C(F)(F)F
InChi:InChI=1S/C11H8F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h1-4,21-22H,5H2
定義日:2003-07-18
最終更新日:2011-06-04
識別子（ID）:1,1,1,3,3,3-hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-ol
44C
44C
表記:4'-(4-{4-[(2-CARBOXYPHENYL)AMINO]PHENOXY}BUTOXY)-1,1'-BIPHENYL-4-CARBOXYLIC ACID
組成式:C30 H27 N O6
SMILES:O=C(O)c1ccc(cc1)c4ccc(OCCCCOc2ccc(cc2)Nc3ccccc3C(=O)O)cc4
InChi:InChI=1S/C30H27NO6/c32-29(33)23-9-7-21(8-10-23)22-11-15-25(16-12-22)36-19-3-4-20-37-26-17-13-24(14-18-26)31-28-6-2-1-5-27(28)30(34)35/h1-2,5-18,31H,3-4,19-20H2,(H,32,33)(H,34,35)
定義日:2005-12-19
最終更新日:2011-06-04
識別子（ID）:4'-(4-{4-[(2-carboxyphenyl)amino]phenoxy}butoxy)biphenyl-4-carboxylic acid
NB8
NB8
表記:5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
組成式:C14 H20 N7 O10 P
SMILES:O=C(NO)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C14H20N7O10P/c15-5(1-7(22)20-26)14(25)31-32(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,13,23-24,26H,1-2,15H2,(H,20,22)(H,27,28)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1
定義日:2010-10-10
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
NBB
NBB
表記:N-BUTYL-BENZENESULFONAMIDE
組成式:C10 H15 N O2 S
SMILES:O=S(=O)(NCCCC)c1ccccc1
InChi:InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
定義日:2003-10-14
最終更新日:2011-06-04
識別子（ID）:N-butylbenzenesulfonamide
NBD
NBD
表記:N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
組成式:C28 H33 N7 O14 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(NCc6ccccc6)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C28H33N7O14P2/c29-24(40)16-7-4-8-34(10-16)27-22(38)20(36)17(47-27)11-45-50(41,42)49-51(43,44)46-12-18-21(37)23(39)28(48-18)35-14-33-19-25(31-13-32-26(19)35)30-9-15-5-2-1-3-6-15/h1-8,10,13-14,17-18,20-23,27-28,36-39H,9,11-12H2,(H4-,29,30,31,32,40,41,42,43,44)/t17-,18-,20-,21-,22-,23-,27-,28-/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-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
NBE
NBE
表記:NITROSOBENZENE
組成式:C6 H5 N O
SMILES:O=Nc1ccccc1
InChi:InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:nitrosobenzene
NBI
NBI
表記:2-nitro-N-phenylbenzamide
組成式:C13 H10 N2 O3
SMILES:[O-][N+](=O)c1ccccc1C(=O)Nc2ccccc2
InChi:InChI=1S/C13H10N2O3/c16-13(14-10-6-2-1-3-7-10)11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)
定義日:2010-02-15
最終更新日:2011-06-04
識別子（ID）:2-nitro-N-phenyl-benzamide
44P
44P
表記:5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
組成式:C10 H16 N2 O11 P2
SMILES:O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
定義日:2010-06-07
最終更新日:2011-06-04
識別子（ID）:5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine
NBP
NBP
表記:NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE
組成式:C21 H27 Br N7 O17 P3
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H27BrN7O17P3/c22-21-27-11-16(23)25-7-26-18(11)29(21)20-15(45-47(34,35)36)13(31)10(44-20)6-42-49(39,40)46-48(37,38)41-5-9-12(30)14(32)19(43-9)28-3-1-2-8(4-28)17(24)33/h1-4,7,9-10,12-15,19-20,30-32H,5-6H2,(H7-,23,24,25,26,33,34,35,36,37,38,39,40)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:[[(2R,3R,4R,5R)-5-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
44U
44U
表記:beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
組成式:C23 H29 N3 O2
SMILES:O=C(NCCC)C3N(C(=O)C(N)C(c1ccccc1)c2ccccc2)CCC3
InChi:InChI=1S/C23H29N3O2/c1-2-15-25-22(27)19-14-9-16-26(19)23(28)21(24)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,2,9,14-16,24H2,1H3,(H,25,27)/t19-,21+/m0/s1
定義日:2008-06-02
最終更新日:2011-06-04
識別子（ID）:beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
NBS
NBS
表記:N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
組成式:C17 H21 N5 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)NCc3ccccc3)C(O)C4O
InChi:InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
定義日:2002-01-18
最終更新日:2011-06-04
識別子（ID）:N-benzyladenosine 5'-(trihydrogen diphosphate)
NBV
NBV
表記:(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
組成式:C10 H21 N O4
SMILES:OCC1N(CCCC)CC(O)C(O)C1O
InChi:InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
定義日:2007-06-18
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
454
454
表記:8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
組成式:C18 H18 N4
SMILES:N2=C(N)N1C(=NCCC1)C2(c3ccccc3)c4ccccc4
InChi:InChI=1S/C18H18N4/c19-17-21-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-20-12-7-13-22(16)17/h1-6,8-11H,7,12-13H2,(H2,19,21)
定義日:2009-07-28
最終更新日:2011-06-04
識別子（ID）:8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
NBZ
NBZ
表記:NITROBENZENE
組成式:C6 H5 N O2
SMILES:[O-][N+](=O)c1ccccc1
InChi:InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:nitrobenzene

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