Lignoceryl carnitine

Properties Image MNX_ID MNXM8842 reference biggM:lgnccrn formula C31H64NO3 global charge 1 mol weight 498.857 InChIKey WMMCQGKGLKWABC-SSEXGKCCSA-O InChI InChI=1S/C31H63NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35-30(28-31(33)34)29-32(2,3)4/h30H,5-29H2,1-4H3/p+1/t30-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCO[C@H](CC(=O)O)C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C31H63NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35-30(28-31(33)34)29-32(2,3)4/h30H,5-29H2,1-4H3/t30-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][O:35][C@H:30]([CH2:28][C:31](=[O:33])[O-:34])[CH2:29][N+:32]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3