| E52 | Name: | Methylated Ruthenium Pyridocarbazole | Formula: | 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 | Definition date: | 2008-04-22 | Last modified: | 2023-09-23 |
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| DDH | Name: | [7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON | Formula: | 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 | Synonyms: | DIACETYLDEUTEROHEME | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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| DEF | Name: | DEFEROXAMINE MESYLATE FE(III) COMPLEX | Formula: | C27 H49 Fe N6 O11 S | SMILES: | CCC(=O)[N]1CCCCCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(CCCCCNO[S](C)(=O)=O)O[Fe](O1)O2 | InChi: | InChI=1S/C27H49N6O11S.Fe/c1-3-25(36)31(39)20-10-4-7-17-28-23(34)13-15-26(37)32(40)21-11-5-8-18-29-24(35)14-16-27(38)33(41)22-12-6-9-19-30-44-45(2,42)43 | Definition date: | 2001-10-16 | Last modified: | 2023-09-23 |
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| B17 | Name: | {1-[4-(AMINOSULFONYL)PHENYL]-11-[(CARBOXY-KAPPAO)METHYL]-1-OXO-5,8-DIOXA-2,11-DIAZATRIDECAN-13-OATO(2-)-KAPPAO~13~}COPPER | Formula: | C17 H23 Cu N3 O9 S | SMILES: | O=C1O[Cu]OC(=O)CN(C1)CCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N | InChi: | InChI=1S/C17H25N3O9S.Cu/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24 | Definition date: | 2006-03-27 | Last modified: | 2023-09-23 | Identifier: | {11-[(carboxy-kappaO)methyl]-1-oxo-1-(4-sulfamoylphenyl)-5,8-dioxa-2,11-diazatridecan-13-oato(2-)-kappaO~13~}copper |
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| B1M | Name: | CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE | Formula: | C61 H86 Co N13 O15 P | SMILES: | COc1ccc2n(cnc2c1)[CH]3O[CH](CO)[CH](O[P]([OH-])(=O)O[CH](C)CNC(=O)CC[C]4(C)[CH](CC(N)=O)C5=[N+]6C4=C(C)C7=[N+]8C(=CC9=[N+]%10C(=C(C)C%11=[N+]([C]5(C)[C](C)(CC(N)=O)[CH]%11CCC(N)=O)[Co]68%10)[C](C)(CC(N)=O)[CH]9CCC(N)=O)C(C)(C)[CH]7CCC(N)=O)[CH]3O | InChi: | InChI=1S/C61H86N13O15P.Co/c1-29(88-90(84,85)89-52-40(27-75)87-56(51(52)83)74-28-69-38-21-32(86-10)11-15-39(38)74)26-68-48(82)19-20-58(6)36(22-45(65)79)55-61(9)60(8,25-47(67)81)35(14-18-44(64)78)50(73-61)31(3)54-59(7,24-46(66)80)33(12-16-42(62)76)37(70-54)23-41-57(4,5)34(13-17-43(63)77)49(71-41)30(2)53(58)72-55 | Synonyms: | FACTOR IIIM | Definition date: | 2005-01-07 | Last modified: | 2023-09-23 |
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| F3S | Name: | FE3-S4 CLUSTER | Formula: | Fe3 S4 | SMILES: | S1[Fe]S[Fe]2S[Fe]1S2 | InChi: | InChI=1S/3Fe.4S | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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| FCI | Name: | FERRICROCIN-IRON | Formula: | 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 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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| FDE | Name: | FE(III) DEUTEROPORPHYRIN IX | Formula: | 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 | Definition date: | 2005-09-13 | Last modified: | 2023-09-23 |
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| FEL | Name: | HYDRATED FE | Formula: | Fe H6 O3 | SMILES: | O.O.O.[Fe+3] | InChi: | InChI=1S/Fe.3H2O/h | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 | Identifier: | tris($l^{3}-oxidanyl)iron(3+) |
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| FEM | Name: | N-(2-FERROCENYLETHYL)MALEIMIDE | Formula: | 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 | Definition date: | 2001-07-26 | Last modified: | 2023-09-23 | Identifier: | iron; $l^{1}-carbane; 1-propylpyrrolidine-2,5-dione |
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| DHE | Name: | HEME D | Formula: | C34 H32 Fe N4 O10 | SMILES: | CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]2C1=CC5=NC(=CC6=NC(=Cc4c(C)c3CCC(O)=O)[C](C)(CC(O)=O)C6=O)[C](C)(CC(O)=O)C5=O | InChi: | InChI=1S/C34H34N4O10.Fe/c1-15-17(5-7-27(39)40)21-10-22-18(6-8-28(41)42)16(2)20(36-22)11-25-33(3,13-29(43)44)32(48)24(38-25)12-26-34(4,14-30(45)46)31(47)23(37-26)9-19(15)35-21 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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| FLL | Name: | OCTAHEDRAL RU-PYRIDOCARBAZOLE | Formula: | C30 H18 Cl F N5 O4 Ru | SMILES: | OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+] | InChi: | InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6 | Definition date: | 2009-01-29 | Last modified: | 2023-09-23 |
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| FNE | Name: | (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI) | Formula: | C3 Fe Ni O3 S | SMILES: | [Fe]S[Ni].[C-]#[O+].[C-]#[O+].[C-]#[O+] | InChi: | InChI=1S/3CO.Fe.Ni.S/c3*1-2 | Definition date: | 2000-06-21 | Last modified: | 2023-09-23 | Identifier: | 3,3,3-tris($l^{3}-oxidanylidynemethyl)-1-thia-2$l^{2}-nickela-3$l^{5}-ferracyclopropane |
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| FS2 | Name: | FE-S-O HYBRID CLUSTER | Formula: | Fe4 O3 S2 | SMILES: | O1[Fe]O[Fe]1O[Fe]2S[Fe]S2 | InChi: | InChI=1S/4Fe.3O.2S | Definition date: | 2000-05-26 | Last modified: | 2023-09-23 |
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| FSO | Name: | IRON/SULFUR/OXYGEN HYBRID CLUSTER | Formula: | Fe4 O3 S3 | SMILES: | [S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23 | InChi: | InChI=1S/4Fe.3O.3S/q | Definition date: | 2000-05-04 | Last modified: | 2023-09-23 | Release date: | 2000-06-21 |
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| FSX | Name: | BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II) | Formula: | Fe4 O3 S3 | SMILES: | O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2 | InChi: | InChI=1S/4Fe.H2O.2O.3S/h | Synonyms: | FE4-S3-O3 CLUSTER | Definition date: | 2000-06-21 | Last modified: | 2023-09-23 |
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| 2MO | Name: | MOLYBDENUM (IV)OXIDE | Formula: | Mo O2 | SMILES: | O=[Mo]=O | InChi: | InChI=1S/Mo.2O | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 | Identifier: | dioxomolybdenum |
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| 2NO | Name: | NITROGEN DIOXIDE | Formula: | N O2 | SMILES: | ON=O | InChi: | InChI=1S/HNO2/c2-1-3/h(H,2,3) | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 | Identifier: | nitrous acid |
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| HAS | Name: | HEME-AS | Formula: | 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 | Definition date: | 2000-03-06 | Last modified: | 2023-09-23 |
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| HB1 | Name: | RUTHENIUM-PYRIDOCARBAZOLE-1 | Formula: | 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 | Definition date: | 2005-08-18 | Last modified: | 2023-09-23 |
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| HC0 | Name: | 2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER | Formula: | 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 | Definition date: | 1999-08-24 | Last modified: | 2023-09-23 | Identifier: | 3-$l^{3}-oxidanyl-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,1,3,3-pentacarbaldehyde |
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| HC1 | Name: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER | Formula: | C5 H8 Fe2 O7 S2 | SMILES: | O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O | InChi: | InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2 | Definition date: | 1999-08-23 | Last modified: | 2023-09-23 | Identifier: | 1,3-bis($l^{3}-oxidanyl)-5-oxidanylidene-2,4-dithia-1$l^{7},3$l^{7}-diferratricyclo[1.1.1.0^{1,3}]pentane-1,1,3,3-tetracarbaldehyde |
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| HCN | Name: | 2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER | Formula: | C7 H10 Fe2 N2 O5 S2 | SMILES: | O.O=C[Fe]12(C#N)[SH]3COC[SH]1[Fe]3(C=O)(C#N)C2=O | InChi: | InChI=1S/C2H6OS2.2CN.2CHO.CO.2Fe.H2O/c4-1-3-2-5 | Definition date: | 2008-03-31 | Last modified: | 2023-09-23 |
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| HE6 | Name: | 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN | Formula: | 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 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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| HEB | Name: | HEME B/C | Formula: | C34 H34 Fe N4 O4 | SMILES: | CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C | InChi: | InChI=1S/C34H36N4O4.Fe/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 | Synonyms: | HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE) | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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