Mrv0541 04171414542D 45 52 0 0 0 0 999 V2000 -1.6487 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.8557 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8557 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.8557 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0244 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0765 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -4.0661 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6639 -3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -4.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4817 -4.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Mg 0 6 0 0 0 0 0 0 0 0 0 0 2.1016 -4.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -5.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 -2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 -3.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 16 1 1 0 0 0 0 1 12 2 0 0 0 0 2 3 2 0 0 0 0 40 2 1 0 0 0 0 24 2 1 0 0 0 0 3 4 1 0 0 0 0 4 13 2 0 0 0 0 18 4 1 0 0 0 0 5 6 2 0 0 0 0 13 5 1 0 0 0 0 27 5 1 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 33 8 2 0 0 0 0 14 8 1 0 0 0 0 10 9 2 0 0 0 0 15 10 1 0 0 0 0 30 10 1 0 0 0 0 11 12 1 0 0 0 0 15 11 2 0 0 0 0 22 11 1 0 0 0 0 41 14 1 0 0 0 0 24 16 2 0 0 0 0 16 17 1 0 0 0 0 18 27 2 0 0 0 0 18 19 1 0 0 0 0 20 33 1 0 0 0 0 20 21 1 0 0 0 0 22 30 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 36 1 0 0 0 0 33 44 1 0 0 0 0 44 34 1 0 0 0 0 34 38 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 38 42 1 0 0 0 0 38 39 2 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 44 45 2 0 0 0 0 13 41 1 0 0 0 0 15 41 1 0 0 0 0 M CHG 4 13 1 15 1 35 -1 41 -2 M END > CHEBI:60490 > magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-) > The conjugate base of magnesium 131-oxoprotoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17. It is the principal species at pH 7.3. > 3 > CHEBI:77665 > Mg-13(1)-oxoprotoporphyrin 13-monomethyl ester; magnesium 13(1)-oxoprotoporphyrinate 13-monomethyl ester > {3-[18-(3-methoxy-3-oxopropanoyl)-3,7,12,17-tetramethyl-8,13-divinylporphyrin-2-yl-kappa(4)N(21),N(22),N(23),N(24)]propanoato(3-)}magnesate(1-) > C35H31MgN4O5 > 611.95000 > 611.21504 > -1 > COC(=O)CC(=O)c1c(C)c2C=C3C(C=C)=C(C)C4=[N+]3[Mg--]35n2c1C=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C4)n32)=[N+]51 > InChI=1S/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-3/b24-12-,25-12-,26-13-,27-14-,28-13-,29-14-,30-15-,31-15-; > IOQIILLGNAOXJE-JXBSUKTBSA-K $$$$