ZEM

20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)

Created:2002-09-18
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count1
Bond Count83
Aromatic Bond Count5
2D diagram of ZEM

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Chemical Component Summary

Name20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II)
FormulaC34 H32 N4 O5 Zn
Molecular Weight642.051
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C
SMILESOpenEye OEToolkits2.0.7Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O
Canonical SMILESCACTVS3.385 CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N@]5C(=CC6=NC(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(C=C)C5=CC1=N2)C
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(c2n3c1C(=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O
InChIInChI1.06 InChI=1S/C34H34N4O5.Zn/c1-7-20-16(3)24-14-27-21(8-2)18(5)32(37-27)34(43)33-19(6)23(10-12-31(41)42)29(38-33)15-28-22(9-11-30(39)40)17(4)25(36-28)13-26(20)35-24;/h7-8,13-15H,1-2,9-12H2,3-6H3,(H5,35,36,37,38,39,40,41,42,43);/q;+2/p-2/b24-14-,25-13-,26-13-,27-14-,28-15-,29-15-,34-32+,34-33+;
InChIKeyInChI1.06 GKGQUBKNYNPVCL-GYHFSKQYSA-L

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02920 
NameZn(Ii)-(20-Oxo-Protoporphyrin Ix)
Groups experimental
SynonymsZn(Ii)-(20-Oxo-Protoporphyrin Ix)