**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

3-Oxo-9-Octadecenoylcarnitine

Properties Image MNX_ID MNXM1595886 reference vmhM:oleic3oxcrn vmhM:oleic3oxcrn formula C25H45NO5 global charge 0 mol weight 439.637 InChIKey JTZBDVGTOIPMPY-WHIOSMTNSA-N InChI InChI=1S/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h12-13,23H,5-11,14-21H2,1-4H3/b13-12-/t23-/m1/s1 SMILES CCCCCCCC/C=C\CCCCCC(=O)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h12-13,23H,5-11,14-21H2,1-4H3/b13-12-/t23-/m1/s1 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][C:22]([CH2:19][C:25](=[O:30])[O:31][C@H:23]([CH2:20][C:24]([O-:28])=[O:29])[CH2:21][N+:26]([CH3:2])([CH3:3])[CH3:4])=[O:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:oleic3oxcrn vmhM:oleic3oxcrn vmhmetabolite:oleic3oxcrn vmhmetabolite:oleic3oxcrn JTZBDVGTOIPMPY-WHIOSMTNSA-N	3-Oxo-9-Octadecenoylcarnitine
vmhM:od9crn_3ox vmhM:od9crn_3ox vmhM:M_oleic3oxcrn	secondary/obsolete/fantasy identifier