ubiquinone-7

Properties Image MNX_ID MNXM13206 reference chebi:46448 formula C44H66O4 global charge 0 mol weight 659.008 InChIKey DBESHHFMIFSNRV-RJYQSXAYSA-N InChI InChI=1S/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+ 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)CCC=C(C)C)=C(C)C1=O MNX internals InChI (mnx) InChI=1/C44H66O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+ SMILES (mnx) [CH3:1][C:32]([CH3:2])=[CH:18][CH2:12][CH2:19]/[C:33]([CH3:3])=[CH:20]/[CH2:13][CH2:21]/[C:34]([CH3:4])=[CH:22]/[CH2:14][CH2:23]/[C:35]([CH3:5])=[CH:24]/[CH2:15][CH2:25]/[C:36]([CH3:6])=[CH:26]/[CH2:16][CH2:27]/[C:37]([CH3:7])=[CH:28]/[CH2:17][CH2:29]/[C:38]([CH3:8])=[CH:30]/[CH2:31][C:40]1=[C:39]([CH3:9])[C:41](=[O:45])[C:43]([O:47][CH3:10])=[C:44]([O:48][CH3:11])[C:42]1=[O:46]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0