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BioLiP Library

PDB CCD ID: A1LZQ
Number of entries in BioLiP: 16
Chemical formula: C55 H70 Mg N4 O6
InChI: InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,19,25,27-30,32,34-35,39-40,51H,1,14-18,20-24,26H2,2-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/t32?,34-,35+,39-,40+,51-;/m1./s1
InChIKey: FQBSMLYJYBYPGF-CZXYOYAHSA-M
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N@@]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[C@@H](C)[C@@H]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[C@H](C)[C@H]4C=C
CACTVS 3.385COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C
OpenEye OEToolkits 2.0.7Cc1c2n3c(c1C(=O)C)C=C4C(C(C5=[N]4[Mg]36[N]7=C(C(C(C7=C2)C)CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C(=C5)C(=C9C(=O)C8C(=O)OC)C)C=C)C
OpenEye OEToolkits 2.0.7Cc1c2n3c(c1C(=O)C)C=C4[C@@H]([C@H](C5=[N]4[Mg]36[N]7=C([C@H]([C@@H](C7=C2)C)CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C(=C5)C(=C9C(=O)[C@@H]8C(=O)OC)C)C=C)C
Name:Trans-Geranyl 8-vinyl-bacteriochlorophyll B
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)(download the PDF file).
  • 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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