PDB Chemical Component CP3

Ideal Model

Chemical Description

Name COPROPORPHYRIN III
Formula C36 H44 N4 O8
Formal charge 0
Molecular weight 660.757 g/mol
Component type NON-POLYMER

Chemical features

Atom count 92
Chiral atom count 0
Bond count 96
Aromatic bond count 20

Chemical Identifiers

Systematic name (ACDLabs) 3,3',3'',3'''-(3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl)tetrapropanoic acid

Chemical Descriptors

Stereo SMILES (CACTVS) Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
SMILES (CACTVS) Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC(O)=O)c(C)c5CCC(O)=O)c(C)c4CCC(O)=O)c(CCC(O)=O)c3C
Stereo SMILES (OpenEye) Cc1c2[nH]c(c1CCC(=O)O)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)O)CCC(=O)O)C)CCC(=O)O)C
InChI descriptor InChI=1/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/f/h41,43,45,47H
InChIKey descriptor NIUVHXTXUXOFEB-ADPVAKDMCI

Status Information

Last modified 2008-10-14
Created 2003-10-29
Release status REL
Model PDB code 1R3T
Processing site RCSB