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BioLiP

PDB CCD ID: ZND
Number of entries in BioLiP: 2
Chemical formula: C30 H28 N4 O4 Zn
InChI: InChI=1S/C30H30N4O4.Zn/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;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-;
InChIKey: AWLDATKNAASRNV-RWRCOHKGSA-L
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=CC2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C)C5=C2
CACTVS 3.385CC1=CC2=NC1=Cc3n4[Zn][N@@]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C)C5=C2
OpenEye OEToolkits 1.9.2Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5)C=C8C)C)CCC(=O)O
ACDLabs 12.01O=C(O)CCc1c(c2C=C5C(=CC=4C=C7C(=CC6=CC8=N3C(=Cc1n2[Zn]3(N=45)N67)C(=C8C)CCC(=O)O)C)C)C
Name:Zinc (II) Deuteroporphyrin IX
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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