12-octadecanoyloxy-octadecanoate

Properties Image MNX_ID MNXM163112 reference chebi:136330 formula C36H69O4 global charge -1 mol weight 565.944 InChIKey HCUIHIKPUYHKSQ-UHFFFAOYSA-M InChI InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1 SMILES CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/t34? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:25][CH2:29][CH2:33][C:36](=[O:39])[O:40][CH:34]([CH2:30][CH2:26][CH2:8][CH2:6][CH2:4][CH3:2])[CH2:31][CH2:27][CH2:23][CH2:20][CH2:18][CH2:19][CH2:21][CH2:24][CH2:28][CH2:32][C:35](=[O:37])[OH:38]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1