12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d

Properties Image MNX_ID MNXM162618 reference chebi:90967 formula C36H37MgN4O3 global charge -1 mol weight 598.022 InChIKey OFLMPYMLTXUROB-ZWHLOQRUSA-K InChI InChI=1S/C36H40N4O3.Mg/c1-8-21-18(5)26-14-28-19(6)23(10-11-33(42)43)35(39-28)25-13-32(41)34-22(9-2)30(40-36(25)34)16-31-24(12-17(3)4)20(7)27(38-31)15-29(21)37-26;/h8,14-17,19,23H,1,9-13H2,2-7H3,(H3,37,38,39,40,41,42,43);/q;+2/p-3/t19-,23-;/m0./s1 SMILES C=CC1=C(C)C2=CC3=[N+]4C(=C5CC(=O)C6=C5N5C(=C6CC)C=C6C(CC(C)C)=C(C)C7=[N+]6[Mg-2]54N2C1=C7)[C@@H](CCC(=O)[O-])[C@@H]3C MNX internals InChI (mnx) InChI=1/C36H40N4O3.Mg/c1-8-21-18(5)26-14-28-19(6)23(10-11-33(42)43)35(39-28)25-13-32(41)34-22(9-2)30(40-36(25)34)16-31-24(12-17(3)4)20(7)27(38-31)15-29(21)37-26;/h8,14-17,19,23H,1,9-13H2,2-7H3,(H3,37,38,39,40,41,42,43);/q;+2/t19-,23-;/m0./s1 SMILES (mnx) [CH2:1]=[CH:8][C:21]1=[C:18]([CH3:5])[C:26]2=[CH:14][C:28]3=[N:39][C:35](=[C:25]4[CH2:13][C:32](=[O:41])[C:34]5=[C:22]([CH2:9][CH3:2])[C:30](=[CH:16][C:31]6=[C:24]([CH2:12][CH:17]([CH3:3])[CH3:4])[C:20]([CH3:7])=[C:27]([CH:15]=[C:29]1[N-:37]2)[NH2+:38]6)[N:40]=[C:36]45)[C@@H:23]([CH2:10][CH2:11][C:33](=[O:42])[OH:43])[C@@H:19]3[CH3:6].[Mg+2:44]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1