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MTQ
MTQ
表記:(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(VI)
組成式:C10 H8 Mo N5 O8 P S2
SMILES:O=C2N=C(N=C3NC4OC(=C1S[Mo](=O)(=O)SC1=C4N=C23)COP(=O)(O)O)N
InChi:InChI=1S/C10H10N5O6PS2.Mo.2O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
定義日:2003-05-08
最終更新日:2011-06-04
識別子（ID）:dioxo(phosphate)molybdenum
MTR
MTR
表記:(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN-3-YL)-1,2-DIDEOXY-RIBOFURANOSE-5-MONOPHOSPHATE
組成式:C11 H16 N O7 P
SMILES:O=P(OCC2OC(C=1C=C(C(=O)NC=1)C)CC2O)(O)O
InChi:InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1
定義日:2003-01-09
最終更新日:2011-06-04
識別子（ID）:(1R)-1,4-anhydro-2-deoxy-1-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol
MTS
MTS
表記:(4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
組成式:C9 H14 N2 O4 S3
SMILES:O=S(=O)(c1sc2c(c1)C(NC)CC(C)S2(=O)=O)N
InChi:InChI=1S/C9H14N2O4S3/c1-5-3-7(11-2)6-4-8(18(10,14)15)16-9(6)17(5,12)13/h4-5,7,11H,3H2,1-2H3,(H2,10,14,15)/t5-,7-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(4S,6S)-6-methyl-4-(methylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
BYM
BYM
表記:(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
組成式:C11 H5 F2 N O4 S
SMILES:O=C1C(SC(=O)N1)=Cc3ccc2OC(F)(F)Oc2c3
InChi:InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
定義日:2005-07-05
最終更新日:2011-06-04
識別子（ID）:(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
MTU
MTU
表記:9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE
組成式:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1cnc(nc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(17)6(16)5(22-9)2-21-23(18,19)20/h1,3,5-7,9,16-17H,2H2,(H2,11,12,14)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
定義日:2004-04-09
最終更新日:2011-06-04
識別子（ID）:9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-2-amine
MTV
MTV
表記:(MOLYBDOPTERIN-S,S)-DIOXO-THIO-MOLYBDENUM(IV)
組成式:C10 H9 Mo N5 O8 P S2
SMILES:O=C2N=C(N=C3NC4OC(=C1S[Mo-](=O)(SC1=C4N=C23)O)COP(=O)(O)O)N
InChi:InChI=1S/C10H10N5O6PS2.Mo.H2O.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19
定義日:2005-01-21
最終更新日:2011-06-04
識別子（ID）:hydroxy(oxo)(phosphate)molibdate(1-)
BYP
BYP
表記:(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL
組成式:C21 H24 Br N5 O2
SMILES:Brc1cnc(nc1Nc2ccccc2)Nc3ccc(OCC(O)CN(C)C)cc3
InChi:InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)/t17-/m1/s1
定義日:2002-06-11
最終更新日:2011-06-04
識別子（ID）:(2R)-1-(4-{[5-bromo-4-(phenylamino)pyrimidin-2-yl]amino}phenoxy)-3-(dimethylamino)propan-2-ol
BYS
BYS
表記:2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID
組成式:C19 H18 O6
SMILES:O=C(O)C(Cc1ccccc1)C(C(=O)O)Cc2ccc3OCOc3c2
InChi:InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1
定義日:2001-07-06
最終更新日:2011-06-04
識別子（ID）:(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acid
MTZ
MTZ
表記:4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE
組成式:C18 H20 N6 O S
SMILES:N2=C(c1sc(nc1C)N)CC=NC/2=Nc4ccc(N3CCOCC3)cc4
InChi:InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-
定義日:2005-11-01
最終更新日:2011-06-04
識別子（ID）:4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine
MU0
MU0
表記:(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
組成式:C37 H45 N5 O6
SMILES:O=C5OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(N2C(=O)NCCC2)C(C)C)Cc3ccccc3)CN5c4ccccc4
InChi:InChI=1S/C37H45N5O6/c1-25(2)33(41-20-12-19-38-36(41)46)35(45)39-28(21-26-13-6-3-7-14-26)23-31(43)30(22-27-15-8-4-9-16-27)40-34(44)32-24-42(37(47)48-32)29-17-10-5-11-18-29/h3-11,13-18,25,28,30-33,43H,12,19-24H2,1-2H3,(H,38,46)(H,39,45)(H,40,44)/t28-,30-,31-,32-,33-/m0/s1
定義日:2007-06-01
最終更新日:2011-06-04
識別子（ID）:(5S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-5-phenylpentyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
MU1
MU1
表記:N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
組成式:C37 H44 N4 O7
SMILES:O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)C)C(C)C)Cc2ccccc2)CN4c3cccc(C(=O)C)c3
InChi:InChI=1S/C37H44N4O7/c1-23(2)34(38-25(4)43)36(46)39-29(18-26-12-7-5-8-13-26)21-32(44)31(19-27-14-9-6-10-15-27)40-35(45)33-22-41(37(47)48-33)30-17-11-16-28(20-30)24(3)42/h5-17,20,23,29,31-34,44H,18-19,21-22H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t29-,31-,32-,33-,34-/m0/s1
定義日:2007-06-01
最終更新日:2011-06-04
識別子（ID）:N~2~-acetyl-N-[(1S,3S,4S)-4-({[(5S)-3-(3-acetylphenyl)-2-oxo-1,3-oxazolidin-5-yl]carbonyl}amino)-1-benzyl-3-hydroxy-5-phenylpentyl]-L-valinamide
BZ3
BZ3
表記:5-methoxy-1H-indole
組成式:C9 H9 N O
SMILES:O(c1cc2c(cc1)ncc2)C
InChi:InChI=1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
定義日:2009-08-11
最終更新日:2011-06-04
識別子（ID）:5-methoxy-1H-indole
MUA
MUA
表記:9-METHYL URIC ACID
組成式:C6 H6 N4 O3
SMILES:O=C1C2=C(NC(=O)N1)N(C(=O)N2)C
InChi:InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
定義日:2003-10-10
最終更新日:2011-06-04
識別子（ID）:9-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
BZ9
BZ9
表記:N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
組成式:C28 H23 N7 O
SMILES:n1ccc(nc1NC)c6cccnc6Oc3c2c(cccc2)c(cc3C)Nc5nc4ccccc4n5
InChi:InChI=1S/C28H23N7O/c1-17-16-24(35-28-33-22-11-5-6-12-23(22)34-28)18-8-3-4-9-19(18)25(17)36-26-20(10-7-14-30-26)21-13-15-31-27(29-2)32-21/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
定義日:2008-05-30
最終更新日:2011-06-04
識別子（ID）:N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
MUF
MUF
表記:(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
組成式:C27 H32 O4
SMILES:O=C(O)C5=CC4=CCC2C(CCC3(C(C(=O)c1ccc(O)cc1)CCC23)C)C4(C)CC5
InChi:InChI=1S/C27H32O4/c1-26-13-11-17(25(30)31)15-18(26)5-8-20-21-9-10-23(27(21,2)14-12-22(20)26)24(29)16-3-6-19(28)7-4-16/h3-7,15,20-23,28H,8-14H2,1-2H3,(H,30,31)/t20-,21-,22-,23+,26-,27-/m0/s1
定義日:2007-11-27
最終更新日:2011-06-04
識別子（ID）:(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid
BZA
BZA
表記:1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
組成式:C18 H16 O3
SMILES:OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O
InChi:InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4S)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol
MUG
MUG
表記:4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE
組成式:C16 H18 O8
SMILES:O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C
InChi:InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:4-methyl-2-oxo-2H-chromen-7-yl alpha-D-glucopyranoside
MUH
MUH
表記:N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
組成式:C24 H18 F3 N5 O
SMILES:FC(F)(F)c1cccc(c1)C(=O)Nc2cc(c(cc2)C)Nc3ncccc3c4ncncc4
InChi:InChI=1S/C24H18F3N5O/c1-15-7-8-18(31-23(33)16-4-2-5-17(12-16)24(25,26)27)13-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)
定義日:2007-02-07
最終更新日:2011-06-04
識別子（ID）:N-{4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide
BZC
BZC
表記:2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
組成式:C15 H13 N3 O2
SMILES:O=C(c3cccc1c3nc(n1)c2cccc(OC)c2)N
InChi:InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
定義日:2000-02-16
最終更新日:2011-06-04
識別子（ID）:2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
MUI
MUI
表記:(5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE
組成式:C33 H39 N3 O8 S
SMILES:O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CN4c3ccc(C(=O)C)cc3
InChi:InChI=1S/C33H39N3O8S/c1-22(2)19-35(45(41,42)28-16-14-27(43-4)15-17-28)20-30(38)29(18-24-8-6-5-7-9-24)34-32(39)31-21-36(33(40)44-31)26-12-10-25(11-13-26)23(3)37/h5-17,22,29-31,38H,18-21H2,1-4H3,(H,34,39)/t29-,30+,31-/m0/s1
定義日:2006-08-11
最終更新日:2011-06-04
識別子（ID）:(5S)-3-(4-acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-1,3-oxazolidine-5-carboxamide
BZF
BZF
表記:BENZOFURAN
組成式:C8 H6 O
SMILES:o2c1ccccc1cc2
InChi:InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1-benzofuran
BZH
BZH
表記:5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID
組成式:C12 H14 N4 O3
SMILES:O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2
InChi:InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)
定義日:2006-11-16
最終更新日:2011-06-04
識別子（ID）:5-[(2-amino-1H-benzimidazol-6-yl)amino]-5-oxopentanoic acid
BZI
BZI
表記:BENZIMIDAZOLE
組成式:C7 H6 N2
SMILES:n2c1ccccc1nc2
InChi:InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:1H-benzimidazole
BZM
BZM
表記:BENZOIC ACID PHENYLMETHYLESTER
組成式:C14 H12 O2
SMILES:O=C(OCc1ccccc1)c2ccccc2
InChi:InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
定義日:2000-03-06
最終更新日:2011-06-04
識別子（ID）:benzyl benzoate
BZP
BZP
表記:N1-CARBOXYPIPERAZINE
組成式:C5 H10 N2 O2
SMILES:O=C(O)N1CCNCC1
InChi:InChI=1S/C5H10N2O2/c8-5(9)7-3-1-6-2-4-7/h6H,1-4H2,(H,8,9)
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:piperazine-1-carboxylic acid

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