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3O5
3O5
表記:4-(4-sulfamoyl-phenoxy)-butylammonium
組成式:C10 H16 N2 O3 S
SMILES:O=S(=O)(N)c1ccc(OCCCCN)cc1
InChi:InChI=1S/C10H16N2O3S/c11-7-1-2-8-15-9-3-5-10(6-4-9)16(12,13)14/h3-6H,1-2,7-8,11H2,(H2,12,13,14)
別名:4-(4-aminobutoxy)benzenesulfonamide
定義日:2014-09-26
最終更新日:2021-03-01
公開日:2015-04-15
識別子（ID）:4-(4-aminobutoxy)benzenesulfonamide
RMA
RMA
表記:N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE
組成式:C13 H15 N
SMILES:C#CCN(C)C2c1ccccc1CC2
InChi:InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
別名:N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
定義日:2004-01-15
最終更新日:2021-03-01
識別子（ID）:(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine
3QA
3QA
表記:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
組成式:C17 H27 N5 O3 S
SMILES:OCCOCCSCCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C17H27N5O3S/c18-17-16-15(20-11-21-17)13(7-19-16)9-22-8-12(14(24)10-22)1-5-26-6-4-25-3-2-23/h7,11-12,14,19,23-24H,1-6,8-10H2,(H2,18,20,21)/t12-,14-/m0/s1
別名:2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A
定義日:2014-10-06
最終更新日:2021-03-01
公開日:2015-11-25
識別子（ID）:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol
3QM
3QM
表記:[(2R)-2-nitrosopropyl]benzene
組成式:C9 H11 N O
SMILES:O=NC(Cc1ccccc1)C
InChi:InChI=1S/C9H11NO/c1-8(10-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1
別名:2-nitroso-1-phenylpropane
定義日:2014-10-08
最終更新日:2021-03-01
公開日:2017-05-10
識別子（ID）:[(2R)-2-nitrosopropyl]benzene
CKA
CKA
表記:7-Chlorokynurenic acid
組成式:C10 H6 Cl N O3
SMILES:c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl
InChi:InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
別名:7-CKA
定義日:2015-07-02
最終更新日:2021-03-01
公開日:2015-12-29
識別子（ID）:7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
CKT
CKT
表記:Cys-ketimine
組成式:C11 H15 N2 O7 P S
SMILES:Cc1c(c(c(cn1)COP(O)(=O)O)CN=C(C(O)=O)CS)O
InChi:InChI=1S/C11H15N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/b13-9+
別名:(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-sulfanylpropanoic acid
定義日:2019-02-18
最終更新日:2021-03-01
公開日:2019-07-03
識別子（ID）:(2Z)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-sulfanylpropanoic acid
CL6
CL6
表記:1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE
組成式:C22 H17 Cl N2
SMILES:Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4
InChi:InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
別名:CLOTRIMAZOLE
定義日:2006-10-26
最終更新日:2021-03-01
識別子（ID）:1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole
CLU
CLU
表記:2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE
組成式:C9 H9 Cl2 N3
SMILES:Clc2c(N=C1/NCCN1)c(Cl)ccc2
InChi:InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
別名:CLONIDINE
定義日:2007-05-01
最終更新日:2021-03-01
識別子（ID）:2,6-dichloro-N-imidazolidin-2-ylideneaniline
RR1
RR1
表記:5-(4,6-DIAMINO-[1,3,5]TRIAZIN-2-YLAMINO)-4-HYDROXY-3-(2-SULFO-PHENYLAZO)-NAPHTHALENE-2,7-DISULFONIC ACID
組成式:C19 H16 N8 O10 S3
SMILES:O=S(=O)(O)c4ccccc4/N=N/c2c(O)c1c(cc(cc1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3nc(nc(n3)N)N
InChi:InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+
別名:REACTIVE RED 1 DYE
定義日:2001-03-07
最終更新日:2021-03-01
識別子（ID）:5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(E)-(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
RR6
RR6
表記:3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID
組成式:C35 H25 N9 O22 S6
SMILES:O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S(=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c(cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c(c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7
InChi:InChI=1S/C35H25N9O22S6/c45-24-7-1-14(67(49,50)51)9-22(24)41-43-28-26(69(55,56)57)11-18-16(30(28)47)3-5-20(32(18)71(61,62)63)38-34-36-13-37-35(40-34)39-21-6-4-17-19(33(21)72(64,65)66)12-27(70(58,59)60)29(31(17)48)44-42-23-10-15(68(52,53)54)2-8-25(23)46/h1-13,45-48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,36,37,38,39,40)/b43-41+,44-42+
別名:AZO-DYE RR6 HAPTEN
定義日:2000-07-14
最終更新日:2021-03-01
識別子（ID）:2,2'-(1,3,5-triazine-2,4-diyldiimino)bis{5-hydroxy-6-[(E)-(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid}
RRT
RRT
表記:(R)-RETRO-THIORPHAN
組成式:C12 H15 N O3 S
SMILES:O=C(O)CC(=O)NC(Cc1ccccc1)CS
InChi:InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1
別名:3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID
定義日:2005-04-08
最終更新日:2021-03-01
識別子（ID）:3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid
RRX
RRX
表記:(3R)-beta,beta-caroten-3-ol
組成式:C40 H56 O
SMILES:OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C
InChi:InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1
別名:beta-Cryptoxanthin
定義日:2014-05-01
最終更新日:2021-03-01
公開日:2014-09-03
識別子（ID）:(3R)-beta,beta-caroten-3-ol
CN3
CN3
表記:(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
組成式:C36 H68 O17 P2
SMILES:O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CC)O)COC(=O)CCCCCCCCCC)CCCCCCCC
InChi:InChI=1S/C36H68O17P2/c1-5-9-11-13-15-16-18-19-22-34(39)47-27-32(53-36(41)23-20-17-14-12-10-6-2)29-51-55(44,45)49-25-30(37)24-48-54(42,43)50-28-31(26-46-33(38)8-4)52-35(40)21-7-3/h30-32,37H,5-29H2,1-4H3,(H,42,43)(H,44,45)/t30-,31-,32-/m1/s1
別名:CARDIOLIPIN
定義日:2008-04-30
最終更新日:2021-03-01
識別子（ID）:(2R,5S,11R,14R)-5,8,11-trihydroxy-2-(nonanoyloxy)-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate
CN5
CN5
表記:(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
組成式:C26 H52 O13 P2
SMILES:O=C(OCCCOP(=O)(OCC(O)COP(=O)(O)OCCCOC(=O)C)O)CCCCCCCCCCCCCC
InChi:InChI=1S/C26H52O13P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(29)35-19-16-21-37-41(32,33)39-23-25(28)22-38-40(30,31)36-20-15-18-34-24(2)27/h25,28H,3-23H2,1-2H3,(H,30,31)(H,32,33)/t25-/m0/s1
別名:CARDIOLIPIN
定義日:2008-04-28
最終更新日:2021-03-01
識別子（ID）:(5S,11R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-4,6,10,12,16-pentaoxa-5,11-diphosphaoctadec-1-yl pentadecanoate
CNQ
CNQ
表記:3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE
組成式:C15 H10 Cl N3 O
SMILES:Clc3ccc(c1nc2c(cccc2nc1)C(=O)N)cc3
InChi:InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
別名:2-(4-CHLOROPHENYL)-5-QUINOXALINECARBOXAMIDE
定義日:2004-08-25
最終更新日:2021-03-01
識別子（ID）:3-(4-chlorophenyl)quinoxaline-5-carboxamide
CNY
CNY
表記:13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE
組成式:C23 H44 N6 O12
SMILES:O1C(CN)C(O)C(O)C2NCC5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(CN)C(O)C(O)C4N
InChi:InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
別名:CYCLIC NEOMYCIN
定義日:2005-06-24
最終更新日:2021-03-01
識別子（ID）:(2R,3S,4R,4aR,7R,8S,9R,10S,11aR,12S,13R,15S,15aR,16aR)-13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2H-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxy-beta-L-idopyranoside
CO6
CO6
表記:ISOBUTYRYL-COENZYME A
組成式:C25 H42 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)C
InChi:InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
別名:IB-CO6
定義日:2006-10-11
最終更新日:2021-03-01
識別子（ID）:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylpropanethioate (non-preferred name)
COU
COU
表記:COUMARIN
組成式:C9 H6 O2
SMILES:O=C2Oc1ccccc1C=C2
InChi:InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
別名:2H-1-BENZOPYRAN-2-ONE
定義日:2005-03-09
最終更新日:2021-03-01
識別子（ID）:2H-chromen-2-one
RTX
RTX
表記:4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine
組成式:C20 H25 Cl N2 O
SMILES:Clc2cc1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC
InChi:InChI=1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
別名:10-DEBC
定義日:2013-09-10
最終更新日:2021-03-01
公開日:2014-02-26
識別子（ID）:4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine
CQL
CQL
表記:5-chloro-7-iodoquinolin-8-ol
組成式:C9 H5 Cl I N O
SMILES:Ic1c(O)c2ncccc2c(Cl)c1
InChi:InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
別名:Clioquinol
定義日:2009-10-28
最終更新日:2021-03-01
識別子（ID）:5-chloro-7-iodoquinolin-8-ol
CRM
CRM
表記:3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID
組成式:C14 H18 N4 O9
SMILES:O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO
InChi:InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1
別名:CARBOXYETHYLLUMAZINE
定義日:2002-02-13
最終更新日:2021-03-01
識別子（ID）:1-[6-(2-carboxyethyl)-2,4,7-trioxo-1,3,4,7-tetrahydropteridin-8(2H)-yl]-1-deoxy-D-ribitol
RXT
RXT
表記:(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
組成式:C17 H18 N6
SMILES:N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4
InChi:InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
別名:Ruxolitinib
定義日:2014-07-31
最終更新日:2021-03-01
公開日:2014-09-17
識別子（ID）:(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CSL
CSL
表記:(D)-2'-METHYLSELENYL-2'-DEOXYCYTIDINE-5'-PHOSPHATE
組成式:C10 H16 N3 O7 P Se
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2[Se]C)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7PSe/c1-22-8-7(14)5(4-19-21(16,17)18)20-9(8)13-3-2-6(11)12-10(13)15/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
別名:(D)-2'-DEOXY-2'-SE-METHYLCYTIDINE-5'-PHOSPHATE
定義日:2005-02-15
最終更新日:2021-03-01
識別子（ID）:2'-Se-methyl-2'-selenocytidine 5'-(dihydrogen phosphate)
CTN
CTN
表記:4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
組成式:C9 H13 N3 O5
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
別名:CYTIDINE
定義日:2003-05-20
最終更新日:2021-03-01
識別子（ID）:cytidine
CTV
CTV
表記:(2Z)-3,7-dimethylocta-2,6-dienenitrile
組成式:C10 H15 N
SMILES:N#CC=C(/CC/C=C(/C)C)C
InChi:InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
別名:citralva
定義日:2011-05-17
最終更新日:2021-03-01
識別子（ID）:(2Z)-3,7-dimethylocta-2,6-dienenitrile

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件を2024-10-09に公開中

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