13Z,16Z,19Z-Docosatrienoylcarnitine

Properties Image MNX_ID MNXM744527 reference biggM:M00342 formula C29H51NO4 global charge 0 mol weight 477.73 InChIKey OCGDLIUNELUBCT-QNEBEIHSSA-N InChI InChI=1S/C29H51NO4/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/h6-7,9-10,12-13,27H,5,8,11,14-26H2,1-4H3/b7-6-,10-9-,13-12- SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C29H51NO4/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/h6-7,9-10,12-13,27H,5,8,11,14-26H2,1-4H3/b7-6-,10-9-,13-12-/t27? SMILES (mnx) [CH3:1][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][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) 2 in models (compartimentalized) 3