(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine

Properties Image MNX_ID MNXM8437 reference chebi:134424 formula C29H47NO4 global charge 0 mol weight 473.698 InChIKey AOSDFVDGMYPTHD-NQXOOMTHSA-N InChI InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+ SMILES CC/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+/t27? SMILES (mnx) [CH3:1][CH2:5]/[CH:6]=[CH:7]/[CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH2:12]/[CH:13]=[CH:14]/[CH2:15][CH2:16]/[CH:17]=[CH:18]/[CH2:19][CH2:20]/[CH:21]=[CH:22]/[CH2:23][CH2:24][C:29](=[O:33])[O:34][CH:27]([CH2:25][C:28](=[O:31])[O-:32])[CH2:26][N+:30]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4