a cholesterol ester

Properties Image MNX_ID MNXM1108465 reference chebi:17002 formula C28H45O2* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 MNX internals InChI (mnx) InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i4+1 SMILES (mnx) [CH3:1][CH:19]([CH3:2])[CH2:8][CH2:7][CH2:9][C@@H:20]([CH3:3])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C@@H:24]3[CH2:11][CH:10]=[C:22]4[CH2:18][C@@H:23]([O:31][C:21]([13CH3:4])=[O:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 3