3-Hydroxy-Octadecenoyl Carnitine

Properties Image MNX_ID MNXM1363403 reference biggM:3octdece1crn formula C25H47NO5 global charge 0 mol weight 441.653 InChIKey DGNPJQDFCXFOEZ-OEPBMOORSA-N InChI InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1 SMILES CCCCCC/C=C\CCCCCCCC(O)CC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:22]([CH2:21][C:25](=[O:30])[O:31][C@@H:23]([CH2:19][CH2:20][C:24](=[O:28])[O-:29])[N+:26]([CH3:2])([CH3:3])[CH3:4])[OH:27]

Parent-child relations graph

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