24-methylene-cholesterol sulfate

Properties Image MNX_ID MNXM35645 reference chebi:186217 formula C28H46O4S global charge 0 mol weight 478.739 InChIKey AMOPPXJCFANYMU-PXBBAZSNSA-N InChI InChI=1S/C28H46O4S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(32-33(29,30)31)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26H,3,7-8,10-17H2,1-2,4-6H3,(H,29,30,31)/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 SMILES C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C28H46O4S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(32-33(29,30)31)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26H,3,7-8,10-17H2,1-2,4-6H3,(H,29,30,31)/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH:9]=[C:21]4[CH2:17][C@@H:22]([O:32][S:33]([OH:29])(=[O:30])=[O:31])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6]

Parent-child relations graph

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