Ketcher 05262310042D 1 1.00000 0.00000 0 43 50 0 0 0 999 V2000 -1.9222 0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9466 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 -1.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9222 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 -0.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -0.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 1.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 3.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -1.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 -1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2894 -1.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 3.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 1.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 -3.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 -3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7034 -2.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -3.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 -3.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -4.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1059 -4.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 -5.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -5.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 -4.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 -4.7407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 0.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 16 1 2 0 0 0 1 12 1 0 0 0 2 3 1 0 0 0 42 2 1 0 0 0 24 2 2 0 0 0 3 4 2 0 0 0 4 13 1 0 0 0 18 4 1 0 0 0 5 6 1 0 0 0 13 5 2 0 0 0 27 5 1 0 0 0 6 7 2 0 0 0 7 14 1 0 0 0 7 20 1 0 0 0 8 9 2 0 0 0 33 8 1 0 0 0 14 8 1 0 0 0 10 9 1 0 0 0 15 10 2 0 0 0 30 10 1 0 0 0 11 12 2 0 0 0 15 11 1 0 0 0 22 11 1 0 0 0 13 43 1 0 0 0 43 14 1 0 0 0 15 43 1 0 0 0 24 16 1 0 0 0 16 17 1 0 0 0 18 27 2 0 0 0 18 19 1 0 0 0 20 33 2 0 0 0 20 21 1 0 0 0 22 30 2 0 0 0 22 23 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 37 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 40 1 0 0 0 37 36 1 0 0 0 37 38 2 0 0 0 40 39 1 0 0 0 40 41 2 0 0 0 42 43 1 0 0 0 M CHG 5 13 1 15 1 36 -1 39 -1 43 -2 M END > CHEBI:60492 > magnesium protoporphyrin(2-) > The conjugate base of magnesium protoporphyrin, formed by deprotonation of the carboxyethyl groups at C-13 and C-17. It is the principal species at pH 7.3. > 3 > Mg-protoporphyrin IX > C34H30MgN4O4 > 582.944 > 582.21284 > -2 > CC1=C(CCC([O-])=O)C2=CC3=[N+]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N+]7[Mg--]4(N2C1=C8)N56)C(C)=C3CCC([O-])=O > InChI=1S/C34H34N4O4.Mg/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; > REJJDEGSUOCEEW-RGGAHWMASA-J $$$$