3beta-hydroxycholest-4-ene-6alpha-hydroperoxide

Properties Image MNX_ID MNXM46563 reference chebi:172969 formula C27H46O3 global charge 0 mol weight 418.662 InChIKey ZBPNFHYFNDMGAR-MEAJOKFQSA-N InChI InChI=1S/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,25,28-29H,6-14,16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25+,26-,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OO)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-23,25,28-29H,6-14,16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25+,26-,27-/m1/s1 SMILES (mnx) [CH3:1][CH:17]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:21]1[CH2:9][CH2:10][C@H:22]2[C@@H:20]3[CH2:16][C@H:25]([O:30][OH:29])[C:24]4=[CH:15][C@@H:19]([OH:28])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:23]3[CH2:12][CH2:14][C@:26]12[CH3:4]

Parent-child relations graph

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