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ZSV
ZSV
表記:(R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
組成式:C32 H35 N2 O8
SMILES:COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)=O)cc1
InChi:InChI=1S/C32H34N2O8/c1-3-16-34(18-22-6-4-5-7-26(22)31(37)33-17-21-8-11-24(40-2)12-9-21)19-23-10-14-27-30(29(23)32(38)39)41-20-25(42-27)13-15-28(35)36/h3-12,14,25H,1,13,15-20H2,2H3,(H,33,37)(H,35,36)(H,38,39)/p+1/t25-/m0/s1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
ZSW
ZSW
表記:(R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
組成式:C28 H35 N2 O7
SMILES:CC[CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O[CH](CCC(O)=O)COc3c2C(O)=O
InChi:InChI=1S/C28H34N2O7/c1-4-14-30(15-19-8-6-7-9-22(19)27(33)29-18(3)5-2)16-20-10-12-23-26(25(20)28(34)35)36-17-21(37-23)11-13-24(31)32/h4,6-10,12,18,21H,1,5,11,13-17H2,2-3H3,(H,29,33)(H,31,32)(H,34,35)/p+1/t18-,21+/m1/s1
定義日:2011-07-01
最終更新日:2023-09-23
識別子（ID）:[2-[[(2~{R})-butan-2-yl]carbamoyl]phenyl]methyl-[[(2~{S})-5-carboxy-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
NT0
NT0
表記:N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide
組成式:C23 H19 N3 O2
SMILES:O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc4
InChi:InChI=1S/C23H19N3O2/c27-22(15-19-12-7-13-28-19)26-23-20(14-17-8-3-1-4-9-17)25-21(16-24-23)18-10-5-2-6-11-18/h1-13,16H,14-15H2,(H,24,26,27)
別名:2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
定義日:2022-08-21
最終更新日:2023-09-23
公開日:2023-08-23
識別子（ID）:2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide
NT9
NT9
表記:~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
組成式:C12 H13 N S
SMILES:CNCc1ccc(cc1)c2sccc2
InChi:InChI=1S/C12H13NS/c1-13-9-10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8,13H,9H2,1H3
定義日:2022-08-22
最終更新日:2023-09-23
公開日:2022-11-23
識別子（ID）:~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
MM2
MM2
表記:1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2
組成式:C28 H54 Cu2 N8
SMILES:[Cu].[Cu].C1CNCCNCCCN(CCNC1)Cc2ccc(CN3CCCNCCNCCCNCC3)cc2
InChi:InChI=1S/C28H54N8.2Cu/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36
別名:CU-BICYCLAM
定義日:2005-01-24
最終更新日:2023-09-23
MM5
MM5
表記:1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II)
組成式:C28 H48 N8 Ni2
SMILES:C1CN(CCN2CCCN3CCN(C1)[Ni]23)Cc4ccc(CN5CCCN6CCN7CCCN(CC5)[Ni]67)cc4
InChi:InChI=1S/C28H48N8.2Ni/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36
別名:NICKEL(II)XYLYLBICYCLAM
定義日:2006-06-19
最終更新日:2023-09-23
NUI
NUI
表記:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide
組成式:C40 H52 Fe4 N8 O6 S10
SMILES:O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(SCc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[CH]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10
InChi:InChI=1S/2C20H28N4O3S3.4Fe.4S/c2*25-17(4-2-1-3-16-19-15(11-30-16)23-20(27)24-19)21-8-18(26)22-14-6-12(9-28)5-13(7-14)10-29
定義日:2022-08-22
最終更新日:2023-09-23
公開日:2023-08-23
識別子（ID）:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide
NUX
NUX
表記:1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one
組成式:C24 H26 Cl2 F2 N2 O3 S
SMILES:CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N2CCN([CH](C)[CH]2C)c3cccc(Cl)c3
InChi:InChI=1S/C24H26Cl2F2N2O3S/c1-4-24(27,28)22(31)14-34(33)21-9-8-17(12-20(21)26)23(32)30-11-10-29(15(2)16(30)3)19-7-5-6-18(25)13-19/h5-9,12-13,15-16H,4,10-11,14H2,1-3H3/t15-,16-,34+/m0/s1
別名:1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one
定義日:2022-08-23
最終更新日:2023-09-23
公開日:2023-08-23
識別子（ID）:1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one
ZEM
ZEM
表記:20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)
組成式:C34 H32 N4 O5 Zn
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C
InChi:InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24
別名:ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
定義日:2002-09-18
最終更新日:2023-09-23
MNW
MNW
表記:8,8,8,8-tetrakis($l^{1}-oxidanyl)-2-methyl-3,7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1,5-diene
組成式:C6 H9 O7 V
SMILES:Cc1[o+]ccc2O[V](O)(O)(O)(O)Oc12
InChi:InChI=1S/C6H6O3.4H2O.V/c1-4-6(8)5(7)2-3-9-4
定義日:2022-07-27
最終更新日:2023-09-23
公開日:2022-11-23
識別子（ID）:2-methyl-8,8,8,8-tetrakis(oxidanyl)-7,9-dioxa-3-oxonia-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene
MP1
MP1
表記:N-METHYLMESOPORPHYRIN CONTAINING COPPER
組成式:C35 H39 Cu N4 O4
SMILES:CCC1=C(C)C2=Cc3n(C)c(C=C4N=C(C=C5[N]([Cu])C(=CC1=N2)C(=C5CCC(O)=O)C)C(=C4C)CCC(O)=O)c(C)c3CC
InChi:InChI=1S/C35H40N4O4.Cu/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28
定義日:1999-09-07
最終更新日:2023-09-23
MAP
MAP
表記:MAGNESIUM-5'-ADENYLY-IMIDO-TRIPHOSPHATE
組成式:C10 H16 Mg N6 O12 P3
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](=O)(O[Mg])O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
InChi:InChI=1S/C10H17N6O12P3.Mg.H/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21
定義日:1999-07-08
最終更新日:2023-09-23
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[oxidanyl-(phosphonoamino)phosphoryl]oxy-phosphoryl]oxymagnesium
SF3
SF3
表記:FE4-S3 CLUSTER
組成式:Fe4 S3
SMILES:[Fe]S[Fe]S[Fe]S[Fe]
InChi:InChI=1S/4Fe.3S
定義日:2002-12-23
最終更新日:2023-09-23
識別子（ID）:[(1~{S},3~{R})-1$l^{3},3$l^{3},5-trithia-2$l^{2},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-3-yl]iron
SF4
SF4
表記:IRON/SULFUR CLUSTER
組成式:Fe4 S4
SMILES:S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
InChi:InChI=1S/4Fe.4S
定義日:1999-07-08
最終更新日:2023-09-23
N8F
N8F
表記:(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione
組成式:C12 H13 N O4 S
SMILES:O=C1CC[CH](C[S](=O)(=O)c2ccccc2)C(=O)N1
InChi:InChI=1S/C12H13NO4S/c14-11-7-6-9(12(15)13-11)8-18(16,17)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14,15)/t9-/m1/s1
定義日:2022-08-12
最終更新日:2023-09-23
公開日:2023-01-11
識別子（ID）:(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione
Q3Z
Q3Z
表記:Pt(NH3)2(2-(pyridin-4-ylmethyl)benzo-[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone)
組成式:C20 H17 N5 O4 Pt
SMILES:N.N.[Pt].O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35
InChi:InChI=1S/C20H11N3O4.2H3N.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10
定義日:2023-03-23
最終更新日:2023-09-23
公開日:2023-06-28
N9F
N9F
表記:~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
組成式:C10 H11 N3 O
SMILES:CC(=O)NCc1ccc2[nH]ncc2c1
InChi:InChI=1S/C10H11N3O/c1-7(14)11-5-8-2-3-10-9(4-8)6-12-13-10/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)
定義日:2022-08-12
最終更新日:2023-09-23
公開日:2022-09-28
識別子（ID）:~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
N9O
N9O
表記:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide
組成式:C26 H31 N5 O4 S
SMILES:CN(C)c1ccc2C(=O)N(CCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)C(=O)c5cccc1c25
InChi:InChI=1S/C26H31N5O4S/c1-30(2)19-11-10-17-22-15(19)6-5-7-16(22)24(33)31(25(17)34)13-12-27-21(32)9-4-3-8-20-23-18(14-36-20)28-26(35)29-23/h5-7,10-11,18,20,23H,3-4,8-9,12-14H2,1-2H3,(H,27,32)(H2,28,29,35)/t18-,20-,23-/m0/s1
定義日:2022-08-15
最終更新日:2023-09-23
公開日:2022-08-31
識別子（ID）:5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide
1ME
1ME
表記:(2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID
組成式:C5 H11 N O2 S
SMILES:CS[CH](C)[CH](N)C(O)=O
InChi:InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1
定義日:2011-01-24
最終更新日:2023-09-23
識別子（ID）:(2~{S})-2-azanyl-3-methylsulfanyl-butanoic acid
PCD
PCD
表記:(MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V)
組成式:C19 H26 Mo N8 O16 P2 S2
SMILES:O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[CH]2O
InChi:InChI=1S/C19H26N8O13P2S2.Mo.H2O.2O/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14
別名:MOLYBDENUM COFACTOR
定義日:1999-07-08
最終更新日:2023-09-23
識別子（ID）:[[(1~{R},10~{R},16~{R})-5-azanyl-13-$l^{3}-oxidanyl-7-oxidanyl-13,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{7}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,6,11(15)-tetraen-16-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
RBU
RBU
表記:RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
組成式:C23 H20 N6 Ru
SMILES:[Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc(nc4)c5ccccn5
InChi:InChI=1S/2C10H8N2.C3H4N2.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10
定義日:1999-07-08
最終更新日:2023-09-23
識別子（ID）:1~{H}-imidazol-3-yl-bis(2-pyridin-2-ylpyridin-1-yl)ruthenium
MW6
MW6
表記:(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
組成式:C12 H14 N2 O2 S
SMILES:Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1
InChi:InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1
定義日:2022-08-04
最終更新日:2023-09-23
公開日:2023-01-11
識別子（ID）:(3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
MXI
MXI
表記:4-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE
組成式:C23 H24 N4 O
SMILES:COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccnc(N)c4)C(C)(C)C
InChi:InChI=1S/C23H24N4O/c1-23(2,3)22-26-20(21(27-22)17-9-10-25-19(24)13-17)16-6-5-15-12-18(28-4)8-7-14(15)11-16/h5-13H,1-4H3,(H2,24,25)(H,26,27)
定義日:2011-08-16
最終更新日:2023-09-23
識別子（ID）:4-[2-~{tert}-butyl-4-(6-methoxynaphthalen-2-yl)-1~{H}-imidazol-5-yl]pyridin-2-amine
PEJ
PEJ
表記:PERIODATE
組成式:I O4
SMILES:[O-]I(=O)(=O)=O
InChi:InChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
定義日:2004-06-04
最終更新日:2023-09-23
識別子（ID）:periodate
MYO
MYO
表記:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid
組成式:C5 H5 N3 O4
SMILES:Nc1c([nH]nc1C(O)=O)C(O)=O
InChi:InChI=1S/C5H5N3O4/c6-1-2(4(9)10)7-8-3(1)5(11)12/h6H2,(H,7,8)(H,9,10)(H,11,12)
定義日:2022-08-09
最終更新日:2023-09-23
公開日:2022-09-07
識別子（ID）:4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid

243531

件を2025-10-22に公開中

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