1.0 2010-04-08 22:12:43 UTC 2019-11-26 03:13:55 UTC FDB016902 Nitrosylhaem Pigment responsible for the pink colouration of cooked cured meat. Nitrosylhaem is found in animal foods. Iron nitrosylhaem Iron nitrosylheme Nitrosoheme Nitrosylhaem Nitrosylprotoheme C34H32FeN5O5 646.493 646.175286292 7439-89-6 CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(N=O)(N2C1=C8)N56)C(C)=C3CCC(O)=O InChI=1S/C34H34N4O4.Fe.NO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+3;-1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;; ISRYSBPNLWYOKE-HXFTUNQESA-L belongs to the class of organic compounds known as metallotetrapyrroles. These are polycyclic compounds containing a tetrapyrrole skeleton combined with a metal atom. Metallotetrapyrroles Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Metallotetrapyrroles logp 1.52 ALOGPS logs -4.44 ALOGPS solubility 2.33e-02 g/l ALOGPS average_mass 646.493 ChemAxon mono_mass 646.175286292 ChemAxon smiles CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N]7[Fe]4(N=O)(N2C1=C8)N56)C(C)=C3CCC(O)=O ChemAxon formula C34H32FeN5O5 ChemAxon inchi InChI=1S/C34H34N4O4.Fe.NO/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+3;-1/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;; ChemAxon inchikey ISRYSBPNLWYOKE-HXFTUNQESA-L ChemAxon polar_surface_area 150.62 ChemAxon refractivity 182.34 ChemAxon polarizability 71.06 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB37761 #<Reference:0x000055ce32c3d8a8>