dihydroisopentenyldehydrorhodopin

Properties Image MNX_ID MNXM149031 reference chebi:87163 formula C45H66O global charge 0 mol weight 623.022 InChIKey DBNMXBPBTSCRMV-DHRLHYKWSA-N InChI InChI=1S/C45H66O/c1-36(2)20-15-23-40(7)26-18-29-41(8)27-16-24-38(5)21-13-14-22-39(6)25-17-28-42(9)30-19-31-43(10)33-35-44(45(11,12)46)34-32-37(3)4/h13-14,16-22,24-32,44,46H,15,23,33-35H2,1-12H3/b14-13+,24-16+,25-17+,29-18+,30-19+,38-21+,39-22+,40-26+,41-27+,42-28+,43-31+/t44-/m0/s1 SMILES CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC[C@H](CC=C(C)C)C(C)(C)O MNX internals InChI (mnx) InChI=1/C45H66O/c1-36(2)20-15-23-40(7)26-18-29-41(8)27-16-24-38(5)21-13-14-22-39(6)25-17-28-42(9)30-19-31-43(10)33-35-44(45(11,12)46)34-32-37(3)4/h13-14,16-22,24-32,44,46H,15,23,33-35H2,1-12H3/b14-13+,24-16+,25-17+,29-18+,30-19+,38-21+,39-22+,40-26+,41-27+,42-28+,43-31+/t44-/m0/s1 SMILES (mnx) [CH3:1][C:36]([CH3:2])=[CH:20][CH2:15][CH2:23]/[C:40]([CH3:7])=[CH:26]/[CH:18]=[CH:29]/[C:41]([CH3:8])=[CH:27]/[CH:16]=[CH:24]/[C:38]([CH3:5])=[CH:21]/[CH:13]=[CH:14]/[CH:22]=[C:39]([CH3:6])/[CH:25]=[CH:17]/[CH:28]=[C:42]([CH3:9])/[CH:30]=[CH:19]/[CH:31]=[C:43](\[CH3:10])[CH2:33][CH2:35][C@H:44]([CH2:34][CH:32]=[C:37]([CH3:3])[CH3:4])[C:45]([CH3:11])([CH3:12])[OH:46]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1