(9E)-octadec-9-enoylcarnitine

Properties Image MNX_ID MNXM8576 reference chebi:86038 formula C25H47NO4 global charge 0 mol weight 425.654 InChIKey IPOLTUVFXFHAHI-OUKQBFOZSA-N InChI InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+ SMILES CCCCCCCC/C=C/CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+/t23? SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]/[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:25](=[O:29])[O:30][CH:23]([CH2:21][C:24](=[O:27])[O-:28])[CH2:22][N+:26]([CH3:2])([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 9