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QCM
QCM
表記:Givinostat
組成式:C24 H27 N3 O4
SMILES:C(c3ccc(NC(OCc1ccc2c(c1)ccc(c2)CN(CC)CC)=O)cc3)(NO)=O
InChi:InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
別名:{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate
定義日:2019-10-15
最終更新日:2020-06-17
公開日:2019-12-04
識別子（ID）:{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate
9TJ
9TJ
表記:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
組成式:C17 H17 B N4 O5 S
SMILES:C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3
InChi:InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1
別名:boronic acid transition state inhibitor S03043
定義日:2017-06-07
最終更新日:2020-06-17
公開日:2017-11-29
識別子（ID）:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
QCP
QCP
表記:AR-42
組成式:C18 H20 N2 O3
SMILES:C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
InChi:InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
別名:N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
定義日:2019-10-16
最終更新日:2020-06-17
公開日:2019-12-04
識別子（ID）:N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
9TP
9TP
表記:(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
組成式:C32 H32 O13 S
SMILES:O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7
InChi:InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
別名:Teniposide
定義日:2013-07-01
最終更新日:2020-06-17
公開日:2013-07-24
識別子（ID）:(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
QCT
QCT
表記:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
組成式:C21 H20 O11
SMILES:O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4
InChi:InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
別名:quercitrin
定義日:2012-08-31
最終更新日:2020-06-17
公開日:2013-01-25
識別子（ID）:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
9V1
9V1
表記:3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid
組成式:C33 H40 N4 O6
SMILES:CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,19-20,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)/t19-,20-/m1/s1
別名:Billeverdin IXa, bound form
定義日:2017-06-13
最終更新日:2020-06-17
公開日:2017-06-21
識別子（ID）:3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
9V5
9V5
表記:4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
組成式:C12 H8 Cl N O4 S
SMILES:[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
別名:BIS-TRIS BUFFER
定義日:2017-07-15
最終更新日:2020-06-17
公開日:2017-10-25
識別子（ID）:4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
QED
QED
表記:N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
組成式:C25 H28 N6 O9
SMILES:O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O
InChi:InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38)
別名:tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide
定義日:2009-06-19
最終更新日:2020-06-17
識別子（ID）:N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)
9X1
9X1
表記:1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
組成式:C46 H38 Cl2 N4
SMILES:c1(ccc(Cl)cc1)N(C)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c8ccc(C[n+]5ccc(c6c5cccc6)N(C)c7ccc(cc7)Cl)cc8
InChi:InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2
別名:TCD-717
定義日:2017-06-21
最終更新日:2020-06-17
公開日:2018-02-14
識別子（ID）:1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
9XX
9XX
表記:(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
組成式:C38 H74 O4
SMILES:C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
InChi:InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
別名:(S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
定義日:2018-08-29
最終更新日:2020-06-17
公開日:2018-11-14
識別子（ID）:(2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate
9XY
9XY
表記:Endoxifen
組成式:C25 H27 N O2
SMILES:CNCCOc1ccc(cc1)C(=C(CC)c2ccccc2)c3ccc(cc3)O
InChi:InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
別名:4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
定義日:2017-06-26
最終更新日:2020-06-17
公開日:2017-10-11
識別子（ID）:4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
QHM
QHM
表記:hycanthone
組成式:C20 H24 N2 O2 S
SMILES:N(CCN(CC)CC)c2c3C(c1ccccc1Sc3c(cc2)CO)=O
InChi:InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
別名:1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
定義日:2019-11-04
最終更新日:2020-06-17
公開日:2020-02-19
識別子（ID）:1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one
9Z7
9Z7
表記:(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
組成式:C24 H25 N5 O4
SMILES:c15ccccc1C4(C3(NC(C(=C/c2cncn2)N3C(C(=C4)OC)=O)=O)N5OC)C(C)([C@H]=C)C
InChi:InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1
別名:oxaline
定義日:2017-06-27
最終更新日:2020-06-17
公開日:2018-07-04
識別子（ID）:(3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
QI9
QI9
表記:Quinine
組成式:C20 H24 N2 O2
SMILES:O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
InChi:InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
別名:(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol
定義日:2014-10-15
最終更新日:2020-06-17
公開日:2015-01-14
識別子（ID）:(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol
A03
A03
表記:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
組成式:C37 H63 N17 O9
SMILES:O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N
InChi:InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
別名:ARC-1039
定義日:2010-05-27
最終更新日:2020-06-17
識別子（ID）:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)
A0B
A0B
表記:Phloxine B
組成式:C20 H3 Br4 Cl4 O5
SMILES:OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br
InChi:InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1
別名:Cyanosine
定義日:2017-08-08
最終更新日:2020-06-17
公開日:2018-03-07
識別子（ID）:2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate
A12
A12
表記:PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
組成式:C11 H17 N5 O9 P2
SMILES:O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
別名:ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE
定義日:2000-12-15
最終更新日:2020-06-17
識別子（ID）:5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine
A1E
A1E
表記:(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
組成式:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1
別名:(R)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
定義日:2005-04-29
最終更新日:2020-06-17
識別子（ID）:(5R)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
A1S
A1S
表記:isopentyl-Coenzyme A
組成式:C26 H46 N7 O16 P3 S
SMILES:C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C
InChi:InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1
別名:isopentyl-CoA
定義日:2017-07-05
最終更新日:2020-06-17
公開日:2017-08-23
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)
A1Z
A1Z
表記:Vadadustat
組成式:C14 H11 Cl N2 O4
SMILES:OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2
InChi:InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
別名:GSK128863
定義日:2017-08-09
最終更新日:2020-06-17
公開日:2017-10-18
識別子（ID）:2-[[5-(3-chlorophenyl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
A22
A22
表記:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C20 H27 N10 O16 P3
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C6O
InChi:InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(37,38)46-49(39,40)42-2-8-12(32)14(45-47(34,35)36)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
別名:2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE
定義日:2006-10-25
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
A2E
A2E
表記:(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
組成式:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1
別名:(S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
定義日:2005-05-03
最終更新日:2020-06-17
識別子（ID）:(5S)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
QLI
QLI
表記:(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
組成式:C10 H11 N O5
SMILES:O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1N
InChi:InChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
別名:2-amino-2-deoxy-isochorismic acid
定義日:2011-03-23
最終更新日:2020-06-17
識別子（ID）:(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
QLP
QLP
表記:N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE
組成式:C13 H20 N3 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)N
InChi:InChI=1S/C13H20N3O8P/c1-7-12(18)9(8(4-15-7)6-24-25(21,22)23)5-16-10(13(19)20)2-3-11(14)17/h4,10,16,18H,2-3,5-6H2,1H3,(H2,14,17)(H,19,20)(H2,21,22,23)/t10-/m0/s1
別名:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE
定義日:2006-11-17
最終更新日:2020-06-17
識別子（ID）:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamine
A32
A32
表記:(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE
組成式:C20 H29 N3 O10
SMILES:[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCCN2CCOCC2)c3
InChi:InChI=1S/C20H29N3O10/c24-11-15-16(25)17(26)18(27)20(33-15)32-14-9-12(8-13(10-14)23(29)30)19(28)21-2-1-3-22-4-6-31-7-5-22/h8-10,15-18,20,24-27H,1-7,11H2,(H,21,28)/t15-,16+,17+,18-,20+/m1/s1
別名:BMSC-0010
定義日:2001-08-16
最終更新日:2020-06-17
識別子（ID）:3-(alpha-D-galactopyranosyloxy)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide

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