Tetracosapentaenoyl carnitine

Properties Image MNX_ID MNXM9139 reference biggM:tetpent3crn formula C31H51NO4 global charge 0 mol weight 501.752 InChIKey AQYQJMYFFSCGBI-UHFFFAOYSA-N InChI InChI=1S/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h6-7,9-10,12-13,15-16,18-19,29H,5,8,11,14,17,20-28H2,1-4H3 SMILES CCC=CCC=CCC=CCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h6-7,9-10,12-13,15-16,18-19,29H,5,8,11,14,17,20-28H2,1-4H3/b7-6?,10-9?,13-12?,16-15?,19-18?/t29? SMILES (mnx) [CH3:1][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH:18]=[CH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][C:31](=[O:35])[O:36][CH:29]([CH2:27][C:30](=[O:33])[O-:34])[CH2:28][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