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BioLiP

PDB CCD ID: HIF
Number of entries in BioLiP: 1
Chemical formula: C34 H36 Fe N4 O5
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;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42,43);/q;+2/p-2/t34-;/m0./s1
InChIKey: SHNLHGIXEIAKPY-GXUZKUJRSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(c2n3c1C=C4C(C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C
CACTVS 3.385CCc1c(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
OpenEye OEToolkits 2.0.7CCc1c(c2n3c1C=C4[C@](C(=O)C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)(C)CC)C
CACTVS 3.385CCc1c(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
Name:FE(III)-(4-MESOPORPHYRINONE);
FE-MESOPONE;
(8,12-DIETHYL-3,8,13,17-TETRAMETHYL-7-OXO-PORPHYRINATO-2,18-DIPROPIONIC ACID)IRON(III)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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