ubiquinone-8

Properties Image MNX_ID MNXM1368798 reference chebi:61683 formula C49H74O4 global charge 0 mol weight 727.127 InChIKey ICFIZJQGJAJRSU-SGHXUWJISA-N InChI InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ SMILES COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O MNX internals InChI (mnx) InChI=1/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+ SMILES (mnx) [CH3:1][C:36]([CH3:2])=[CH:20][CH2:13][CH2:21]/[C:37]([CH3:3])=[CH:22]/[CH2:14][CH2:23]/[C:38]([CH3:4])=[CH:24]/[CH2:15][CH2:25]/[C:39]([CH3:5])=[CH:26]/[CH2:16][CH2:27]/[C:40]([CH3:6])=[CH:28]/[CH2:17][CH2:29]/[C:41]([CH3:7])=[CH:30]/[CH2:18][CH2:31]/[C:42]([CH3:8])=[CH:32]/[CH2:19][CH2:33]/[C:43]([CH3:9])=[CH:34]/[CH2:35][C:45]1=[C:44]([CH3:10])[C:46](=[O:50])[C:48]([O:52][CH3:11])=[C:49]([O:53][CH3:12])[C:47]1=[O:51]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 89 in models (compartimentalized) 73