3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate

Properties Image MNX_ID MNXM150925 reference chebi:177818 formula C22H43NO5 global charge 0 mol weight 401.588 InChIKey WJVDXGQFPKCLCW-UHFFFAOYSA-N InChI InChI=1S/C22H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(24)16-22(27)28-20(17-21(25)26)18-23(2,3)4/h19-20,24H,5-18H2,1-4H3 SMILES CCCCCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C MNX internals InChI (mnx) InChI=1/C22H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(24)16-22(27)28-20(17-21(25)26)18-23(2,3)4/h19-20,24H,5-18H2,1-4H3/t19?,20? 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][CH:19]([CH2:16][C:22](=[O:27])[O:28][CH:20]([CH2:17][C:21](=[O:25])[O-:26])[CH2:18][N+:23]([CH3:2])([CH3:3])[CH3:4])[OH:24]

Parent-child relations graph

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