![MXU MXU](https://data.pdbj.org/pdbjplus/data/cc/svg/MXU.svg) | MXU | Name: | ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Formula: | C24 H35 N5 O7 | SMILES: | CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O | InChi: | InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1 | Definition date: | 2022-08-09 | Last modified: | 2023-09-23 | Release date: | 2023-08-16 | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate |
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![9TN 9TN](https://data.pdbj.org/pdbjplus/data/cc/svg/9TN.svg) | 9TN | Name: | DEBUTANOYL THAPSIGARGIN | Formula: | C30 H44 O11 | SMILES: | CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](O)C[C](C)(OC(C)=O)[CH]12)C | InChi: | InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9+/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1 | Definition date: | 2011-04-11 | Last modified: | 2023-09-23 | Identifier: | [(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{E})-2-methylbut-2-enoyl]oxy-3,3~{a},4-tris(oxidanyl)-2-oxidanylidene-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate |
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![CLN CLN](https://data.pdbj.org/pdbjplus/data/cc/svg/CLN.svg) | CLN | Name: | SULFUR SUBSTITUTED PROTOPORPHYRIN IX | Formula: | C34 H32 Fe N4 O4 S | SMILES: | CC1=C(CCC(O)=O)C2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)[CH]7C=CS[C]67C)C | InChi: | InChI=1S/C34H34N4O4S.Fe/c1-6-20-17(2)24-13-25-18(3)21(7-9-32(39)40)27(35-25)15-28-22(8-10-33(41)42)19(4)26(36-28)14-30-23-11-12-43-34(23,5)31(38-30)16-29(20)37-24 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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![COH COH](https://data.pdbj.org/pdbjplus/data/cc/svg/COH.svg) | COH | Name: | PROTOPORPHYRIN IX CONTAINING CO | Formula: | C34 H32 Co N4 O4 | SMILES: | CC1=C(CCC(O)=O)C2=Cc3n4[Co][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.Co/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 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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![COY COY](https://data.pdbj.org/pdbjplus/data/cc/svg/COY.svg) | COY | Name: | CO-(ADENIN-9-YL-PENTYL)-COBALAMIN | Formula: | C72 H106 Co N18 O14 P | SMILES: | C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-][CH]1C(=C3[CH](CCC(N)=O)C(C)(C)[CH]4C=C5[CH](CCC(N)=O)[C](C)(CC(N)=O)[CH]6[N]5[Co++](CCCCCn7cnc8c(N)ncnc78)([N]34)[N]9C(=C6C)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12 | InChi: | InChI=1S/C62H92N13O14P.C10H14N5.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56 | Definition date: | 2000-02-16 | Last modified: | 2023-09-23 |
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![3NK 3NK](https://data.pdbj.org/pdbjplus/data/cc/svg/3NK.svg) | 3NK | Name: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE | Formula: | C15 H14 O3 | SMILES: | COc1ccc2cc(ccc2c1)C(=O)CC(C)=O | InChi: | InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3 | Definition date: | 2011-09-23 | Last modified: | 2023-09-23 | Release date: | 2012-11-02 | Identifier: | 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione |
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![CBY CBY](https://data.pdbj.org/pdbjplus/data/cc/svg/CBY.svg) | CBY | Name: | COB(II)INAMIDE | Formula: | C48 H72 Co N11 O8 | SMILES: | [Co++].C[CH](O)CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C]2(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[C](C)(CC(N)=O)[CH]4CCC(N)=O)C(C)(C)[CH]3CCC(N)=O | InChi: | InChI=1S/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43 | Definition date: | 2008-03-27 | Last modified: | 2023-09-23 |
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![CCH CCH](https://data.pdbj.org/pdbjplus/data/cc/svg/CCH.svg) | CCH | Name: | [7-ETHENYL-12-FORMYL-3,8,13,17-TERTRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2)-N21,N22,N23,N24]IRON | Formula: | C33 H30 Fe N4 O5 | SMILES: | CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=O)C(=C(CCC(O)=O)C5=C2)C | InChi: | InChI=1S/C33H32N4O5.Fe/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26 | Synonyms: | CLOROCRUORO HEM | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 |
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![4YM 4YM](https://data.pdbj.org/pdbjplus/data/cc/svg/4YM.svg) | 4YM | Name: | ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | Formula: | 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 | Definition date: | 2011-06-06 | Last modified: | 2023-09-23 | Identifier: | ethyl 4-[(2~{R})-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1~{H}-pyrazolo[3,4-b]pyridine-5-carboxylate |
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![BOZ BOZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BOZ.svg) | BOZ | Name: | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC | Formula: | C17 H18 N8 O Zn | SMILES: | [Zn++].NC(N)c1ccc2nc([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N | InChi: | InChI=1S/C17H18N8O.Zn/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17 | Definition date: | 1999-07-08 | Last modified: | 2023-09-23 | Identifier: | [5-(diaminomethyl)-2-[[6-(diaminomethyl)-1H-benzoimidazol-2-yl]carbonyl]-3H-benzoimidazol-1-yl]zinc |
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![BTF BTF](https://data.pdbj.org/pdbjplus/data/cc/svg/BTF.svg) | BTF | Name: | iron(II) tetracyano-5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide | Formula: | C26 H27 Fe N9 O2 S | SMILES: | Cc1ccnc(c1)c2cc(CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)ccn2.N#C[Fe](C#N)(C#N)C#N | InChi: | InChI=1S/C22H27N5O2S.4CN.Fe/c1-14-6-8-23-16(10-14)17-11-15(7-9-24-17)12-25-20(28)5-3-2-4-19-21-18(13-30-19)26-22(29)27-21 | Definition date: | 2009-03-05 | Last modified: | 2023-09-23 | Identifier: | 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}-[(8,8,8,8-tetracyano-12-methyl-7$l^{4},9$l^{4}-diaza-8$l^{6}-ferratricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl)methyl]pentanamide |
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![FCI FCI](https://data.pdbj.org/pdbjplus/data/cc/svg/FCI.svg) | 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 FDE](https://data.pdbj.org/pdbjplus/data/cc/svg/FDE.svg) | 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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![FEM FEM](https://data.pdbj.org/pdbjplus/data/cc/svg/FEM.svg) | 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; $l^{1}-carbane; 1-propylpyrrolidine-2,5-dione |
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![CUP CUP](https://data.pdbj.org/pdbjplus/data/cc/svg/CUP.svg) | CUP | Name: | (N-SALICYLIDEN-L-PHENYLALANATO)-COPPER(II) | Formula: | C16 H13 Cu N O3 | SMILES: | O=C1O[Cu]Oc2ccccc2C=N[CH]1Cc3ccccc3 | InChi: | InChI=1S/C16H15NO3.Cu/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12 | Definition date: | 2007-02-13 | Last modified: | 2023-09-23 | Identifier: | (6~{S})-6-(phenylmethyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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![CUS CUS](https://data.pdbj.org/pdbjplus/data/cc/svg/CUS.svg) | CUS | Name: | (N-SALICYLIDEN-L-LEUCINATO)-COPPER(II) | Formula: | C13 H15 Cu N O3 | SMILES: | CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O | InChi: | InChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15 | Definition date: | 2007-02-15 | Last modified: | 2023-09-23 | Identifier: | (6~{S})-6-(2-methylpropyl)-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
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![E52 E52](https://data.pdbj.org/pdbjplus/data/cc/svg/E52.svg) | 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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![DW1 DW1](https://data.pdbj.org/pdbjplus/data/cc/svg/DW1.svg) | DW1 | Name: | Ruthenium pyridocarbazole | Formula: | C23 H13 N3 O4 Ru | SMILES: | OC1=CC2=C3C(=C4N([Ru]C5C=CC=C5)C=CC=C4C6=C3C(=O)NC6=O)N=C2C=C1.[C-]#[O+] | InChi: | InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | Definition date: | 2009-02-23 | Last modified: | 2023-09-23 |
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![DW2 DW2](https://data.pdbj.org/pdbjplus/data/cc/svg/DW2.svg) | DW2 | Name: | RU-PYRIDOCARBAZOLE-2 | Formula: | C23 H13 N3 O4 Ru | SMILES: | Oc1ccc2n([Ru]C3C=CC=C3)c4c5ncccc5c6C(=O)NC(=O)c6c4c2c1.[C-]#[O+] | InChi: | InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | Definition date: | 2005-08-18 | Last modified: | 2023-09-23 |
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![DWC DWC](https://data.pdbj.org/pdbjplus/data/cc/svg/DWC.svg) | DWC | Name: | PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX | Formula: | C23 H9 N3 O4 Os | SMILES: | Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7 | InChi: | InChI=1S/C17H9N3O3.C5H.CO.Os/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10 | Definition date: | 2008-01-18 | Last modified: | 2023-09-23 |
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![ALB ALB](https://data.pdbj.org/pdbjplus/data/cc/svg/ALB.svg) | ALB | Name: | DELTA-2-ALBOMYCIN A1 | Formula: | 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 | Definition date: | 1999-07-20 | Last modified: | 2023-09-23 |
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![HAS HAS](https://data.pdbj.org/pdbjplus/data/cc/svg/HAS.svg) | 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 HB1](https://data.pdbj.org/pdbjplus/data/cc/svg/HB1.svg) | 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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![HE6 HE6](https://data.pdbj.org/pdbjplus/data/cc/svg/HE6.svg) | 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 HEB](https://data.pdbj.org/pdbjplus/data/cc/svg/HEB.svg) | 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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