precorrin-1

Properties Image MNX_ID MNXM2152 reference chebi:58893 formula C41H38N4O16 global charge -8 mol weight 842.767 InChIKey CJLVUWULFKHGFB-NZCAJUPMSA-F InChI InChI=1S/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8/b32-16-/t24-,41+/m1/s1 SMILES C[C@@]1(CC(=O)[O-])/C2=C/C3=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC4=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC5=C(CCC(=O)[O-])C(CC(=O)[O-])=C(CC(=N2)[C@H]1CCC(=O)[O-])N5)N4)N3 MNX internals InChI (mnx) InChI=1/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/b32-16-/t24-,41+/m1/s1 SMILES (mnx) [CH3:1][C@:41]1([CH2:17][C:40](=[O:60])[OH:61])[C@H:24]([CH2:5][CH2:9][C:36](=[O:52])[OH:53])[C:31]2=[N:45]/[C:32]1=[CH:16]\[C:30]1=[C:23]([CH2:12][C:39](=[O:58])[OH:59])[C:20]([CH2:4][CH2:8][C:35](=[O:50])[OH:51])=[C:26]([CH2:13][C:25]3=[C:18]([CH2:2][CH2:6][C:33](=[O:46])[OH:47])[C:21]([CH2:10][C:37](=[O:54])[OH:55])=[C:28]([CH2:14][C:27]4=[C:19]([CH2:3][CH2:7][C:34](=[O:48])[OH:49])[C:22]([CH2:11][C:38](=[O:56])[OH:57])=[C:29]([CH2:15]2)[NH:43]4)[NH:42]3)[NH:44]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0