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E52
E52
表記:Methylated Ruthenium Pyridocarbazole
組成式:C29 H23 F N4 O7 Ru
SMILES:CN1C(=O)c2c3cc(F)cnc3c4n([Ru]C5(C=CC=C5)C(=O)NC(C)(CO)CO)c6ccc(O)cc6c4c2C1=O.[C-]#[O+]
InChi:InChI=1S/C18H10FN3O3.C10H14NO3.CO.Ru/c1-22-17(24)13-10-4-7(19)6-20-15(10)16-12(14(13)18(22)25)9-5-8(23)2-3-11(9)21-16
定義日:2008-04-22
最終更新日:2023-09-23
FCI
FCI
表記:FERRICROCIN-IRON
組成式:C28 H44 Fe N9 O13
SMILES:CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO)NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C
InChi:InChI=1S/C28H44N9O13.Fe/c1-16(39)35(48)10-4-7-19-25(44)29-14-24(43)32-22(15-38)26(45)30-13-23(42)31-20(8-5-11-36(49)17(2)40)27(46)34-21(28(47)33-19)9-6-12-37(50)18(3)41
定義日:1999-07-08
最終更新日:2023-09-23
FDE
FDE
表記:FE(III) DEUTEROPORPHYRIN IX
組成式:C30 H28 Fe N4 O4
SMILES:CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)C
InChi:InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20
定義日:2005-09-13
最終更新日:2023-09-23
FEM
FEM
表記:N-(2-FERROCENYLETHYL)MALEIMIDE
組成式:C16 H17 Fe N O2
SMILES:O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3C=CC=C3)C=C2
InChi:InChI=1S/C11H12NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9
定義日:2001-07-26
最終更新日:2023-09-23
識別子（ID）:iron; $l^{1}-carbane; 1-propylpyrrolidine-2,5-dione
4YM
4YM
表記:ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
組成式:C21 H22 N6 O3
SMILES:CCOC(=O)c1cnc2[nH]nc(c3cccc(c3)C#N)c2c1N4CCO[CH](CN)C4
InChi:InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)/t15-/m1/s1
定義日:2011-06-06
最終更新日:2023-09-23
識別子（ID）:ethyl 4-[(2~{R})-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1~{H}-pyrazolo[3,4-b]pyridine-5-carboxylate
HE6
HE6
表記:6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN
組成式:C28 H24 Fe N4 O4
SMILES:CC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(C(O)=O)C5=CC6=NC(=Cc4c(C)c3C)C(=C6C(O)=O)C)C
InChi:InChI=1S/C28H26N4O4.Fe/c1-11-13(3)19-8-21-15(5)25(27(33)34)23(31-21)10-24-26(28(35)36)16(6)22(32-24)9-20-14(4)12(2)18(30-20)7-17(11)29-19
定義日:1999-07-08
最終更新日:2023-09-23
HEG
HEG
表記:PROTOPORPHYRIN IX CONTAINING MG
組成式:C34 H32 Mg N4 O4
SMILES:Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Mg]56n2c1C=C7C(=C(C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C=C)C)C=C)CCC(O)=O
InChi:InChI=1S/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:1999-07-08
最終更新日:2023-09-23
HEV
HEV
表記:5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX
組成式:C36 H32 Fe N4 O4
SMILES:CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C
InChi:InChI=1S/C36H34N4O4.Fe/c1-7-21-23(9-3)31-17-32-24(10-4)22(8-2)30(40-32)16-28-20(6)26(12-14-36(43)44)34(38-28)18-33-25(11-13-35(41)42)19(5)27(37-33)15-29(21)39-31
別名:1,3-DEDIMETHYL-1,3-DIVINYL HEME
定義日:2000-04-13
最終更新日:2023-09-23
HF3
HF3
表記:SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3
組成式:H7 Hf3 O15 P
SMILES:O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O[Hf](O)(O)(O)(O3)(O2)O4
InChi:InChI=1S/3Hf.H3O4P.7H2O.4O/c
定義日:2002-11-12
最終更新日:2023-09-23
HF5
HF5
表記:HF OXO CLUSTER HF5
組成式:H12 Hf5 O21
SMILES:O[Hf]123O[Hf](O)(O)(O)(O)O[Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O)(O)(O3)(O4)O5
InChi:InChI=1S/5Hf.12H2O.9O/h
定義日:2002-11-12
最終更新日:2023-09-23
HIF
HIF
表記:FE(III)-(4-MESOPORPHYRINONE)
組成式:C34 H36 Fe N4 O5
SMILES:CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=O)[C]6(C)CC)C(=C3C)CCC(O)=O
InChi:InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-24-18(4)21(9-11-31(39)40)26(35-24)15-27-22(10-12-32(41)42)19(5)25(36-27)14-29-33(43)34(6,8-2)30(38-29)16-28(20)37-23
別名:FE-MESOPONE
定義日:2002-01-22
最終更新日:2023-09-23
HKL
HKL
表記:Fe(III) pyropheophorbide-a methyl ester
組成式:C34 H34 Fe N4 O3
SMILES:CCC1=C(C)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C6C(=O)CC(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C
InChi:InChI=1S/C34H35N4O3.Fe/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24
定義日:2008-01-14
最終更新日:2023-09-23
HNI
HNI
表記:PROTOPORPHYRIN IX CONTAINING NI(II)
組成式:C34 H32 N4 Ni O4
SMILES:CC1=C(CCC(O)=O)C2=Cc3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C
InChi:InChI=1S/C34H34N4O4.Ni/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
定義日:1999-07-08
最終更新日:2023-09-23
ICA
ICA
表記:ISOCITRATE CALCIUM COMPLEX
組成式:C6 H7 Ca O7
SMILES:OC(=O)C[CH]([CH](O[Ca])C(O)=O)C(O)=O
InChi:InChI=1S/C6H7O7.Ca.H/c7-3(8)1-2(5(10)11)4(9)6(12)13
定義日:1999-07-08
最終更新日:2023-09-23
識別子（ID）:[(2~{R},3~{S})-3-carboxy-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]oxycalcium
IMF
IMF
表記:TETRA(IMIDAZOLE)DIAQUACOPPER (I)
組成式:C12 H20 Cu N8 O2
SMILES:O.O.[Cu+].[nH]1ccnc1.[nH]2ccnc2.[nH]3ccnc3.[nH]4ccnc4
InChi:InChI=1S/4C3H4N2.Cu.2H2O/c4*1-2-5-3-4-1
定義日:2001-10-08
最終更新日:2023-09-23
識別子（ID）:tetrakis(1~{H}-imidazol-3-yl)-bis($l^{3}-oxidanyl)copper(1+)
FLL
FLL
表記:OCTAHEDRAL RU-PYRIDOCARBAZOLE
組成式:C30 H18 Cl F N5 O4 Ru
SMILES:OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+]
InChi:InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6
定義日:2009-01-29
最終更新日:2023-09-23
FNE
FNE
表記:(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI)
組成式:C3 Fe Ni O3 S
SMILES:[Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChi:InChI=1S/3CO.Fe.Ni.S/c3*1-2
定義日:2000-06-21
最終更新日:2023-09-23
識別子（ID）:3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane
FSO
FSO
表記:IRON/SULFUR/OXYGEN HYBRID CLUSTER
組成式:Fe4 O3 S3
SMILES:[S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23
InChi:InChI=1S/4Fe.3O.3S/q
定義日:2000-05-04
最終更新日:2023-09-23
公開日:2000-06-21
FSX
FSX
表記:BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II)
組成式:Fe4 O3 S3
SMILES:O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2
InChi:InChI=1S/4Fe.H2O.2O.3S/h
別名:FE4-S3-O3 CLUSTER
定義日:2000-06-21
最終更新日:2023-09-23
AC9
AC9
表記:TRISACETYLACETONATOCHROMIUM(III)
組成式:C15 H21 Cr O6
SMILES:CC(=O)C=C(C)O[Cr](OC(=CC(=O)C)C)OC(=CC(=O)C)C
InChi:InChI=1S/3C5H8O2.Cr/c3*1-4(6)3-5(2)7
定義日:2005-07-06
最終更新日:2023-09-23
識別子（ID）:2,4,8,10,13,15-hexamethyl-1,5$l^{3},7,11$l^{3},12,16$l^{3}-hexaoxa-6$l^{6}-chromaspiro[5.5^{6}.5^{6}]hexadeca-2,4,8,10,13,15-hexaene
ALB
ALB
表記:DELTA-2-ALBOMYCIN A1
組成式:C37 H57 Fe N12 O18 S
SMILES:CN1C(=O)N(C=CC1=NC(N)=O)[CH]2S[CH]([CH](O)[CH]2O)[CH](O)[CH](NC(=O)[CH](CO)NC(=O)[CH]3CCC[N](O[Fe]4O[N](CCC[CH](N)C(=O)N[CH](CCC[N](O4)C(=O)C)C(=O)N3)C(=O)C)C(=O)C)C(O)=O
InChi:InChI=1S/C37H57N12O18S.Fe/c1-17(51)47(65)12-5-8-20(38)30(57)40-21(9-6-13-48(66)18(2)52)31(58)41-22(10-7-14-49(67)19(3)53)32(59)42-23(16-50)33(60)44-25(35(61)62)26(54)29-27(55)28(56)34(68-29)46-15-11-24(43-36(39)63)45(4)37(46)64
定義日:1999-07-20
最終更新日:2023-09-23
DDH
DDH
表記:[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON
組成式:C34 H32 Fe N4 O6
SMILES:CC(=O)c1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4C)CCC(O)=O)C(=C6C)CCC(O)=O)C(=C3C(O)=C)C
InChi:InChI=1S/C34H34N4O6.Fe/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27
別名:DIACETYLDEUTEROHEME
定義日:1999-07-08
最終更新日:2023-09-23
HAS
HAS
表記:HEME-AS
組成式:C54 H64 Fe N4 O6
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=Cc4c(C=C)c3C)C(=C(CCC(O)=O)C5=CC6=NC(=C2)C(=C6CCC(O)=O)C=O)C
InChi:InChI=1S/C54H66N4O6.Fe/c1-10-39-36(7)44-29-50-54(51(60)22-14-21-35(6)20-13-19-34(5)18-12-17-33(4)16-11-15-32(2)3)38(9)45(57-50)28-49-42(31-59)41(24-26-53(63)64)48(58-49)30-47-40(23-25-52(61)62)37(8)43(56-47)27-46(39)55-44
定義日:2000-03-06
最終更新日:2023-09-23
HB1
HB1
表記:RUTHENIUM-PYRIDOCARBAZOLE-1
組成式:C23 H13 N3 O3 Ru
SMILES:[Ru].O=C1NC(=O)c2c1c3cccnc3c4[nH]c5ccccc5c24.[C-]#[O+].C6=C[CH]=[C]=[CH]6
InChi:InChI=1S/C17H9N3O2.C5H4.CO.Ru/c21-16-12-9-5-3-7-18-14(9)15-11(13(12)17(22)20-16)8-4-1-2-6-10(8)19-15
定義日:2005-08-18
最終更新日:2023-09-23
HC0
HC0
表記:2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER
組成式:C6 H7 Fe2 O7 S2
SMILES:O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O)C=O
InChi:InChI=1S/5CHO.CO.2Fe.H2O.2S/c6*1-2
定義日:1999-08-24
最終更新日:2023-09-23
識別子（ID）:3-$l^{3}-oxidanyl-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,1,3,3-pentacarbaldehyde

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件を2025-10-22に公開中

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