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FGF
FGF
表記:N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
組成式:C25 H30 N8 O4
SMILES:COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc23)ncc1C#N
InChi:InChI=1S/C25H30N8O4/c1-31-7-8-32(23(35)15-31)14-18-10-17-4-3-6-33(24(17)29-21(18)16-34)25(36)30-22-11-20(27-5-9-37-2)19(12-26)13-28-22/h10-11,13,16H,3-9,14-15H2,1-2H3,(H2,27,28,30,36)
別名:Roblitinib
定義日:2019-04-02
最終更新日:2021-03-13
公開日:2019-05-15
識別子（ID）:~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide
4FR
4FR
表記:3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
組成式:C34 H34 Cl N7 O3
SMILES:O=C(N)c1ccccc1c2cc(cc(Cl)c2)n6nc(c3c6cc(nc3)Nc5ccc(C(=O)NC4CCN(C)CC4)cc5OC)C
InChi:InChI=1S/C34H34ClN7O3/c1-20-28-19-37-32(39-29-9-8-21(16-31(29)45-3)34(44)38-24-10-12-41(2)13-11-24)18-30(28)42(40-20)25-15-22(14-23(35)17-25)26-6-4-5-7-27(26)33(36)43/h4-9,14-19,24H,10-13H2,1-3H3,(H2,36,43)(H,37,39)(H,38,44)
別名:3'-Chloro-5'-{6-[2-methoxy-4-(1-methyl-piperidin-4-ylcarbamoyl)-phenylamino]-3-methyl-pyrazolo[4,3-c]pyridin-1-yl}-biphenyl-2-carboxylic acid amide
定義日:2008-06-18
最終更新日:2021-03-13
識別子（ID）:3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
FGV
FGV
表記:(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]
組成式:C6 H15 O15 P3
SMILES:C1(C(O)C(OP(O)(O)=O)C(O)C(C1O)OP(=O)(O)O)OP(O)(O)=O
InChi:InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6-
別名:D-myo-inositol-1,3,5-trisphosphate
定義日:2018-03-30
最終更新日:2021-03-13
公開日:2018-10-24
識別子（ID）:(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]
FJV
FJV
表記:4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
組成式:C20 H25 N7 O S
SMILES:C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCNCC6
InChi:InChI=1S/C20H25N7OS/c1-2-4-14-13(3-1)15-16-17(19(24-25-23-16)26-7-5-21-6-8-26)29-20(15)22-18(14)27-9-11-28-12-10-27/h21H,1-12H2
別名:5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline
定義日:2018-04-05
最終更新日:2021-03-13
公開日:2019-04-17
識別子（ID）:5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline
FM6
FM6
表記:[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid
組成式:C16 H16 Cl2 N O5 P
SMILES:Clc1ccc(cc1Cl)C(CCN(O)C(=O)c2ccccc2)P(=O)(O)O
InChi:InChI=1S/C16H16Cl2NO5P/c17-13-7-6-12(10-14(13)18)15(25(22,23)24)8-9-19(21)16(20)11-4-2-1-3-5-11/h1-7,10,15,21H,8-9H2,(H2,22,23,24)/t15-/m0/s1
別名:[3-[benzoyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
定義日:2012-12-30
最終更新日:2021-03-13
公開日:2013-10-09
識別子（ID）:[(1S)-3-[benzoyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
1IR
1IR
表記:N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
組成式:C18 H17 N5 O S
SMILES:n1c5ccccc5sc1NC4CC(n2c3ncccc3nc2OC)C4
InChi:InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+
別名:N-((1r,3r)-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl)benzo[d]thiazol-2-amine
定義日:2014-02-26
最終更新日:2021-03-13
公開日:2014-10-01
識別子（ID）:N-[cis-3-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
A3C
A3C
表記:2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate
組成式:C19 H37 N O7 P2
SMILES:O=P(O)(O)OP(=O)(O)OCCN(C)CCC1C(=C)CCC2C(CCCC12C)(C)C
InChi:InChI=1S/C19H37NO7P2/c1-15-7-8-17-18(2,3)10-6-11-19(17,4)16(15)9-12-20(5)13-14-26-29(24,25)27-28(21,22)23/h16-17H,1,6-14H2,2-5H3,(H,24,25)(H2,21,22,23)/t16-,17-,19+/m0/s1
別名:13-aza-13,14-dihydrocopalyl diphosphate
定義日:2010-10-22
最終更新日:2021-03-13
識別子（ID）:2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate
A48
A48
表記:4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL
組成式:C26 H29 B F3 N O
SMILES:FC(F)(F)CN(c1ccc(O)cc1)B(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C
InChi:InChI=1S/C26H29BF3NO/c1-16-11-18(3)24(19(4)12-16)27(25-20(5)13-17(2)14-21(25)6)31(15-26(28,29)30)22-7-9-23(32)10-8-22/h7-14,32H,15H2,1-6H3
別名:(N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE
定義日:2007-06-06
最終更新日:2021-03-13
識別子（ID）:4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol
1N0
1N0
表記:1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
組成式:C14 H20 N2 O4
SMILES:O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
InChi:InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2
別名:bis(maleimido)hexane, bound form
定義日:2013-04-02
最終更新日:2021-03-13
公開日:2013-06-19
識別子（ID）:1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
1N7
1N7
表記:CHAPSO
組成式:C32 H59 N2 O8 S
SMILES:O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
InChi:InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
別名:2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium
定義日:2013-04-04
最終更新日:2021-03-13
公開日:2013-05-01
識別子（ID）:2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium
A6A
A6A
表記:2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
組成式:C11 H16 N5 O7 P
SMILES:O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H16N5O7P/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-22-6(9(18)8(5)17)2-23-24(19,20)21/h3-6,8-9,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)/t5-,6-,8+,9-/m1/s1
別名:((2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
定義日:2010-08-26
最終更新日:2021-03-13
識別子（ID）:2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
A6C
A6C
表記:2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
組成式:C10 H16 N3 O8 P
SMILES:O=P(O)(O)OCC2OCC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C10H16N3O8P/c11-7-1-2-13(10(16)12-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H2,11,12,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1
別名:((2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
定義日:2010-08-26
最終更新日:2021-03-13
識別子（ID）:2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
A6U
A6U
表記:1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
組成式:C10 H15 N2 O9 P
SMILES:O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:InChI=1S/C10H15N2O9P/c13-7-1-2-12(10(16)11-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H,11,13,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1
別名:((2R,3S,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
定義日:2010-08-26
最終更新日:2021-03-13
識別子（ID）:1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
1OG
1OG
表記: 7-alkylidenecephalosporin DCM-1-10, bound form
組成式:C16 H21 N O9 S
SMILES:O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O
InChi:InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1
別名:(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
定義日:2013-04-11
最終更新日:2021-03-13
公開日:2013-12-04
識別子（ID）:(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
1OH
1OH
表記:4-(1-methyl-1-phenylethyl)phenol
組成式:C15 H16 O
SMILES:Oc1ccc(cc1)C(c2ccccc2)(C)C
InChi:InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
別名:2-(4'-Hydroxyphenyl)-2-phenylpropane
定義日:2007-10-11
最終更新日:2021-03-13
識別子（ID）:4-(1-methyl-1-phenylethyl)phenol
19O
19O
表記:Natrium-(5,7 ,9 ,11 ,16 ,18 ,20 ,22 )-5,7,9,11,16,18,20,22-octahydro-5,22:7,20:9,18:11,16-tetramethanononacen-8,19-bisphosphate
組成式:C44 H36 O6 P2
SMILES:O=P(O)(O)Cc1c9c(c(c3c1C4c2cc6c(cc2C3C4)C7c5ccccc5C6C7)CP(=O)(O)O)C%10c8cc%12c(cc8C9C%10)C%13c%11ccccc%11C%12C%13
InChi:InChI=1S/C44H36O6P2/c45-51(46,47)17-39-41-35-15-36(32-12-28-24-9-23(27(28)11-31(32)35)19-5-1-2-6-20(19)24)42(41)40(18-52(48,49)50)44-38-16-37(43(39)44)33-13-29-25-10-26(30(29)14-34(33)38)22-8-4-3-7-21(22)25/h1-8,11-14,23-26,35-38H,9-10,15-18H2,(H2,45,46,47)(H2,48,49,50)/t23-,24+,25+,26-,35-,36+,37+,38-
別名:[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid)
定義日:2012-11-09
最終更新日:2021-03-13
公開日:2013-02-22
識別子（ID）:[(1R,5S,9S,16R,20R,24S,28S,35R)-tridecacyclo[22.14.1.1~5,20~.1~9,16~.1~28,35~.0~2,23~.0~4,21~.0~6,19~.0~8,17~.0~10,15~.0~25,38~.0~27,36~.0~29,34~]dotetraconta-2(23),3,6(19),7,10,12,14,17,21,25(38),26,29,31,33,36-pentadecaene-3,22-diyldimethanediyl]bis(phosphonic acid) (non-preferred name)
A8N
A8N
表記:N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE
組成式:C21 H33 N3
SMILES:c2c1c(c3c([nH+]c1ccc2)CCCC3)NCCCCCCCC[NH3+]
InChi:InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)/p+2
別名:(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM
定義日:2003-12-04
最終更新日:2021-03-13
識別子（ID）:9-[(8-ammoniooctyl)amino]-1,2,3,4-tetrahydroacridinium
A8S
A8S
表記:(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
組成式:C15 H20 O4
SMILES:O=C(O)C=C(/C=C/C1(O)C(=CC(=O)CC1(C)C)C)C
InChi:InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
別名:(+)-abscisic acid
定義日:2009-09-10
最終更新日:2021-03-13
識別子（ID）:(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
A93
A93
表記:4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
組成式:C23 H19 F O3
SMILES:Fc3ccc(OC(=O)c1cccc(c1)C=Cc2cc(c(O)c(c2)C)C)cc3
InChi:InChI=1S/C23H19FO3/c1-15-12-18(13-16(2)22(15)25)7-6-17-4-3-5-19(14-17)23(26)27-21-10-8-20(24)9-11-21/h3-14,25H,1-2H3/b7-6+
別名:(E)-4-fluorophenyl 3-(4-hydroxy-3,5-dimethylstyryl)benzoate
定義日:2009-06-26
最終更新日:2021-03-13
識別子（ID）:4-fluorophenyl 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoate
AAO
AAO
表記:ACARBOSE DERIVED HEXASACCHARIDE
組成式:C37 H63 N O28
SMILES:O(C1C(OC(O)C(O)C1O)CO)C6OC(C(OC5OC(C)C(NC4C=C(CO)C(OC3OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5O)C(O)C6O)CO
InChi:InChI=1S/C37H63NO28/c1-8-15(18(46)25(53)34(58-8)64-31-13(6-42)62-37(28(56)23(31)51)65-30-12(5-41)59-33(57)24(52)21(30)49)38-10-2-9(3-39)29(20(48)16(10)44)63-36-27(55)22(50)32(14(7-43)61-36)66-35-26(54)19(47)17(45)11(4-40)60-35/h2,8,10-57H,3-7H2,1H3/t8-,10+,11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36-,37-/m1/s1
別名:4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
定義日:2004-11-18
最終更新日:2021-03-13
識別子（ID）:4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
1CR
1CR
表記:PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A
組成式:C74 H74 N10 O18 S
SMILES:O=C(O)CCn1nnc(c1)COc%14cc%13c%12cc%14OCCOc2c(OC)cc6c(c2)Cc7cc(OC)c8OCCOc4cc(c(cc4OCc3nnn(c3)CCC(=O)O)Cc%11cc(OCCOc5c(OC)cc(c(c5)C6)Cc7c8)c(OCc9nnn(c9)CCc%10ccc(cc%10)S(=O)(=O)N)cc%11C%12)C%13
InChi:InChI=1S/C74H74N10O18S/c1-91-61-26-45-21-49-30-66-63(93-3)28-47(49)22-50-31-65-62(92-2)27-46(50)20-48(45)29-64(61)94-14-17-97-67-32-51-24-55-36-71(101-42-58-39-83(80-77-58)12-9-73(85)86)69(99-19-16-96-66)34-53(55)25-56-37-72(102-43-59-40-84(81-78-59)13-10-74(87)88)68(98-18-15-95-65)33-52(56)23-54(51)35-70(67)100-41-57-38-82(79-76-57)11-8-44-4-6-60(7-5-44)103(75,89)90/h4-7,26-40H,8-25,41-43H2,1-3H3,(H,85,86)(H,87,88)(H2,75,89,90)
別名:3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid
定義日:2008-05-12
最終更新日:2021-03-13
識別子（ID）:3,3'-{[14,21,28-trimethoxy-42-({1-[2-(4-sulfamoylphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]tetrapentaconta-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-octadecaene-7,35-diyl]bis(oxymethanediyl-1H-1,2,3-triazole-4,1-diyl)}dipropanoic acid (non-preferred name)
1DP
1DP
表記:N1-deaza-adenosine-5'-monophosphate
組成式:C11 H15 N4 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(N)ccnc12)C(O)C3O
InChi:InChI=1S/C11H15N4O7P/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1
別名:3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine
定義日:2009-07-01
最終更新日:2021-03-13
識別子（ID）:3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine
ACP
ACP
表記:PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
組成式:C11 H18 N5 O12 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
別名:ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
定義日:1999-07-08
最終更新日:2021-03-13
識別子（ID）:5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
ACQ
ACQ
表記:DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
組成式:C11 H19 N5 O15 P4
SMILES:O=P(O)(O)OP(=O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-35(26,27)31-33(21,22)4-32(19,20)30-34(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H,26,27)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
別名:ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TETRAPHOSPHATE
定義日:2001-06-12
最終更新日:2021-03-13
識別子（ID）:5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]oxy}phosphoryl]adenosine
AD8
AD8
表記:1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone
組成式:C15 H20 N2 O
SMILES:O=C(C13CC2CC(CC(C1)C2)C3)Cn4ccnc4
InChi:InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2/t11-,12+,13-,15-
別名:2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone
定義日:2008-05-12
最終更新日:2021-03-13
識別子（ID）:2-(1H-imidazol-1-yl)-1-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]ethanone

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