plastoquinol-9

Properties Image MNX_ID MNXM6387 reference chebi:28026 formula C53H82O2 global charge 0 mol weight 751.237 InChIKey IJBLJLREWPLEPB-IQSNHBBHSA-N InChI InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+ SMILES CC(C)=CCC/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/CC/C(C)=C/CC1=C(O)C(C)=C(C)C(O)=C1 MNX internals InChI (mnx) InChI=1/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+ SMILES (mnx) [CH3:1][C:40]([CH3:2])=[CH:21][CH2:13][CH2:22]/[C:41]([CH3:3])=[CH:23]/[CH2:14][CH2:24]/[C:42]([CH3:4])=[CH:25]/[CH2:15][CH2:26]/[C:43]([CH3:5])=[CH:27]/[CH2:16][CH2:28]/[C:44]([CH3:6])=[CH:29]/[CH2:17][CH2:30]/[C:45]([CH3:7])=[CH:31]/[CH2:18][CH2:32]/[C:46]([CH3:8])=[CH:33]/[CH2:19][CH2:34]/[C:47]([CH3:9])=[CH:35]/[CH2:20][CH2:36]/[C:48]([CH3:10])=[CH:37]/[CH2:38][C:51]1=[CH:39][C:52]([OH:54])=[C:49]([CH3:11])[C:50]([CH3:12])=[C:53]1[OH:55]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 28 in models (compartimentalized) 1