16alpha,27-dihydroxycholesterol

Properties Image MNX_ID MNXM33559 reference chebi:156183 formula C27H46O3 global charge 0 mol weight 418.662 InChIKey NUHIVWGZNPMOCV-MTFAWMJCSA-N InChI InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1 SMILES C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O3/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,28-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25+,26+,27+/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:2])[C@H:25]1[C@H:24]([OH:30])[CH2:15][C@H:23]2[C@@H:21]3[CH2:9][CH:8]=[C:19]4[CH2:14][C@@H:20]([OH:29])[CH2:10][CH2:12][C@:26]4([CH3:3])[C@H:22]3[CH2:11][CH2:13][C@@:27]21[CH3:4])[CH2:16][OH:28]

Parent-child relations graph

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