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9NB
9NB
表記:~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
組成式:C10 H11 N O2 S
SMILES:CC(=O)c1ccc(NC(=O)CS)cc1
InChi:InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
定義日:2017-06-09
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:~{N}-(4-ethanoylphenyl)-2-sulfanyl-ethanamide
BVV
BVV
表記:amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
組成式:C21 H21 N7 O
SMILES:c1cc(ccc1/C(N)=[NH2+])COc2nc3c(cc2)nc(n3)c4ccc(cc4)C(=[NH2+])N
InChi:InChI=1S/C21H19N7O/c22-18(23)13-3-1-12(2-4-13)11-29-17-10-9-16-21(27-17)28-20(26-16)15-7-5-14(6-8-15)19(24)25/h1-10H,11H2,(H3,22,23)(H3,24,25)(H,26,27,28)/p+2
定義日:2017-08-28
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:amino(4-{[(2-{4-[amino(iminio)methyl]phenyl}-3H-imidazo[4,5-b]pyridin-5-yl)oxy]methyl}phenyl)methaniminium
C8J
C8J
表記:(2~{R})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
組成式:C24 H32 N8 O6
SMILES:c12ncnc(c1ncn2C3OC(C(C3O)O)CN(CCCC(N)C(O)=O)CCc4cccc(C(N)=O)c4)N
InChi:InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18-,19-,23-/m1/s1
定義日:2017-09-19
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:(2R)-2-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}[2-(3-carbamoylphenyl)ethyl]amino)pentanoic acid (non-preferred name)
BQD
BQD
表記:(3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide
組成式:C18 H19 Br N2 O3
SMILES:C3C(C(C(=O)Nc2cc1ccc(cc1cc2)Br)N(C(CC)=O)C3)O
InChi:InChI=1S/C18H19BrN2O3/c1-2-16(23)21-8-7-15(22)17(21)18(24)20-14-6-4-11-9-13(19)5-3-12(11)10-14/h3-6,9-10,15,17,22H,2,7-8H2,1H3,(H,20,24)/t15-,17+/m1/s1
定義日:2017-08-23
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:(3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide
CZG
CZG
表記:2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
組成式:C21 H16 N4 O4 S
SMILES:c4(ccc3nc(SCC(Nc1ccc(cc1)Oc2ccccc2)=O)nc3c4)[N+]([O-])=O
InChi:InChI=1S/C21H16N4O4S/c26-20(13-30-21-23-18-11-8-15(25(27)28)12-19(18)24-21)22-14-6-9-17(10-7-14)29-16-4-2-1-3-5-16/h1-12H,13H2,(H,22,26)(H,23,24)
定義日:2017-10-06
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
8NU
8NU
表記:3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
組成式:C23 H27 F N4 O2
SMILES:CC=1N=C5CCCCN5C(C=1CCN2CCC(CC2)c4c3c(cc(cc3)F)on4)=O
InChi:InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
定義日:2017-08-17
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
9CY
9CY
表記:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
組成式:C21 H20 N2 O2
SMILES:n3ccc(c1ccc(cc1)C(=O)NC(Cc2ccccc2)CO)cc3
InChi:InChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1
定義日:2017-04-20
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
9D4
9D4
表記:N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine
組成式:C19 H14 F N3 S
SMILES:n3c2ccc(c1ccncc1)cc2sc3NCc4cccc(F)c4
InChi:InChI=1S/C19H14FN3S/c20-16-3-1-2-13(10-16)12-22-19-23-17-5-4-15(11-18(17)24-19)14-6-8-21-9-7-14/h1-11H,12H2,(H,22,23)
定義日:2017-04-20
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine
ECM
ECM
表記:7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid
組成式:C39 H39 Cl2 N5 O4
SMILES:C(CCc1c5c(n4c1C(N(c2cccc3c2n(C)cc3C(O)=O)CCC4)=O)c(c(cc5)Cl)c6c(n(C)nc6C)C)Oc7cc(c(c(C)c7)Cl)C
InChi:InChI=1S/C39H39Cl2N5O4/c1-21-18-25(19-22(2)34(21)41)50-17-8-11-26-28-13-14-30(40)33(32-23(3)42-44(6)24(32)4)36(28)46-16-9-15-45(38(47)37(26)46)31-12-7-10-27-29(39(48)49)20-43(5)35(27)31/h7,10,12-14,18-20H,8-9,11,15-17H2,1-6H3,(H,48,49)
定義日:2018-01-02
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid
ECY
ECY
表記:3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid
組成式:C37 H39 Cl N4 O4
SMILES:Cc1cc(cc(C)c1Cl)OCCCc3c2C(N(CCCn2c4c(cccc34)c5c(C)nn(C)c5C)Cc6cccc(c6)C(O)=O)=O
InChi:InChI=1S/C37H39ClN4O4/c1-22-18-28(19-23(2)33(22)38)46-17-8-14-30-29-12-7-13-31(32-24(3)39-40(5)25(32)4)34(29)42-16-9-15-41(36(43)35(30)42)21-26-10-6-11-27(20-26)37(44)45/h6-7,10-13,18-20H,8-9,14-17,21H2,1-5H3,(H,44,45)
定義日:2018-01-02
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid
EGY
EGY
表記:(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
組成式:C33 H67 N O8 P
SMILES:OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChi:InChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1
定義日:2018-01-10
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
FF8
FF8
表記:(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
組成式:C22 H26 F N O4
SMILES:c1(c(ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCCC)F
InChi:InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
定義日:2017-06-17
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
DKH
DKH
表記:3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide
組成式:C76 H105 N18 O27 S2
SMILES:[C][C]([C])c1ccc(cc1[N][S]([C])(=O)=O)c2cc([N]C(=O)CNC(=O)C(CN)NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(CN)C(=O)NCCC(=O)Nc3cc(nn4c(C)nnc34)c5ccc(C)c(N[S](C)(=O)=O)c5)c6nnc([C])n6n2
InChi:InChI=1S/C78H124N18O27S2/c1-56(2)62-11-10-61(49-66(62)94-125(7,105)106)65-51-68(76-90-88-59(5)96(76)92-65)84-73(99)54-82-78(102)70(53-80)86-74(100)55-123-47-46-122-45-44-121-43-42-120-41-40-119-39-38-118-37-36-117-35-34-116-33-32-115-31-30-114-29-28-113-27-26-112-25-24-111-23-22-110-21-20-109-19-18-108-17-16-107-15-13-72(98)85-69(52-79)77(101)81-14-12-71(97)83-67-50-64(91-95-58(4)87-89-75(67)95)60-9-8-57(3)63(48-60)93-124(6,103)104/h8-11,48-51,56,69-70,93-94H,12-47,52-55,79-80H2,1-7H3,(H,81,101)(H,82,102)(H,83,97)(H,84,99)(H,85,98)(H,86,100)
定義日:2018-01-22
最終更新日:2018-01-26
公開日:2018-01-31
識別子（ID）:3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[3-(methylsulfonyl-$l^{2}-azanyl)-4-propan-2-yl-cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide
7W0
7W0
表記:2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid
組成式:C26 H22 N2 O5
SMILES:Cc1n(Cc2ccccc2c3ccccc3)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O
InChi:InChI=1S/C26H22N2O5/c1-16-23(25(31)26(27)32)24-20(12-7-13-21(24)33-15-22(29)30)28(16)14-18-10-5-6-11-19(18)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
定義日:2017-01-31
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid
7W3
7W3
表記:2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid
組成式:C21 H17 F3 N2 O5
SMILES:Cc1n(Cc2ccccc2C(F)(F)F)c3cccc(OCC(O)=O)c3c1C(=O)C(N)=O
InChi:InChI=1S/C21H17F3N2O5/c1-11-17(19(29)20(25)30)18-14(7-4-8-15(18)31-10-16(27)28)26(11)9-12-5-2-3-6-13(12)21(22,23)24/h2-8H,9-10H2,1H3,(H2,25,30)(H,27,28)
定義日:2017-01-31
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid
7W6
7W6
表記:2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid
組成式:C20 H17 Br N2 O5
SMILES:Cc1n(Cc2cccc(Br)c2)c3cccc(OCC(O)=O)c3c1C(=O)C(N)=O
InChi:InChI=1S/C20H17BrN2O5/c1-11-17(19(26)20(22)27)18-14(6-3-7-15(18)28-10-16(24)25)23(11)9-12-4-2-5-13(21)8-12/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)
定義日:2017-01-31
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:2-[1-[(3-bromophenyl)methyl]-2-methyl-3-oxamoyl-indol-4-yl]oxyethanoic acid
7W9
7W9
表記:2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
組成式:C24 H20 N2 O5
SMILES:Cc1n(Cc2cccc3ccccc23)c4cccc(OCC(O)=O)c4c1C(=O)C(N)=O
InChi:InChI=1S/C24H20N2O5/c1-14-21(23(29)24(25)30)22-18(10-5-11-19(22)31-13-20(27)28)26(14)12-16-8-4-7-15-6-2-3-9-17(15)16/h2-11H,12-13H2,1H3,(H2,25,30)(H,27,28)
定義日:2017-01-31
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:2-[2-methyl-1-(naphthalen-1-ylmethyl)-3-oxamoyl-indol-4-yl]oxyethanoic acid
7Y3
7Y3
表記:1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
組成式:C7 H5 Br N2 O2 S2
SMILES:Brc1sc(cc1)[S](=O)(=O)n2cccn2
InChi:InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
定義日:2017-02-08
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:1-(5-bromanylthiophen-2-yl)sulfonylpyrazole
K5L
K5L
表記:(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
組成式:C6 H9 N O6
SMILES:N[CH](COC(=O)CC(O)=O)C(O)=O
InChi:InChI=1S/C6H9NO6/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m1/s1
定義日:2017-01-25
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:(2~{R})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
87L
87L
表記:(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic acid
組成式:C12 H11 N O2
SMILES:OC(=O)[CH](n1cccc1)c2ccccc2
InChi:InChI=1S/C12H11NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-9,11H,(H,14,15)/t11-/m0/s1
定義日:2017-05-01
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:(2~{S})-2-phenyl-2-pyrrol-1-yl-ethanoic acid
9SW
9SW
表記:methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
組成式:C21 H41 O6 P
SMILES:CCCCCCCCCCCC[CH](CC[P](O)(=O)OC)[CH](C(C)=O)C(=O)OC
InChi:InChI=1S/C21H41O6P/c1-5-6-7-8-9-10-11-12-13-14-15-19(16-17-28(24,25)27-4)20(18(2)22)21(23)26-3/h19-20H,5-17H2,1-4H3,(H,24,25)/t19-,20+/m1/s1
定義日:2017-07-09
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic acid
7PR
7PR
表記:praseodymium triacetate
組成式:C6 H9 O6 Pr
SMILES:C(=O)(C)O[Pr](OC(C)=O)OC(=O)C
InChi:InChI=1S/3C2H4O2.Pr/c3*1-2(3)4
定義日:2017-09-26
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:praseodymium triacetate
A7G
A7G
表記:1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole
組成式:C25 H25 F2 N5 O
SMILES:FC(F)Oc1ccccc1Cn5c4cc(c2ccc(nc2)N3CCNCC3)ccc4nc5C
InChi:InChI=1S/C25H25F2N5O/c1-17-30-21-8-6-18(19-7-9-24(29-15-19)31-12-10-28-11-13-31)14-22(21)32(17)16-20-4-2-3-5-23(20)33-25(26)27/h2-9,14-15,25,28H,10-13,16H2,1H3
定義日:2017-07-08
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole
B8N
B8N
表記:(2~{R})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
組成式:C14 H22 N3 O11 P
SMILES:CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O
InChi:InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8-,9-,10-,11+/m1/s1
定義日:2017-09-25
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:(2~{R})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
C1Z
C1Z
表記:guanosine 3'-diphosphate 5'-triphosphate
組成式:C10 H18 N5 O20 P5
SMILES:NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O)c2N1
InChi:InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
定義日:2017-11-07
最終更新日:2018-01-19
公開日:2018-01-24
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate

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件を2024-09-11に公開中

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