(9Z-tetradecenoyl)-cholesterol

Properties Image MNX_ID MNXM33383 reference slm:000500260 formula C41H70O2 global charge 0 mol weight 595.009 InChIKey LAMGDJMPDNVWTB-BJZZQDJASA-N InChI InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=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/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35+,36-,37+,38+,40+,41-/m1/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][C:39](=[O:42])[O:43][C@H:34]1[CH2:26][CH2:28][C@@:40]2([CH3:5])[C:33](=[CH:22][CH2:23][C@H:35]3[C@@H:37]4[CH2:25][CH2:24][C@H:36]([C@H:32]([CH3:4])[CH2:20][CH2:18][CH2:19][CH:31]([CH3:2])[CH3:3])[C@@:41]4([CH3:6])[CH2:29][CH2:27][C@@H:38]32)[CH2:30]1

Parent-child relations graph

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