3beta,7alpha-Dihydroxy-5-cholestenoate

Properties Image MNX_ID MNXM6853 reference chebi:81015 formula C27H44O4 global charge 0 mol weight 432.645 InChIKey GYJSAWZGYQXRBS-GRJZKGIBSA-N InChI InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 SMILES CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O MNX internals InChI (mnx) InChI=1/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:16]([CH2:6][CH2:5][CH2:7][CH:17]([CH3:2])[C:25](=[O:30])[OH:31])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:24]3[C@H:22]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@H:19]([OH:28])[CH2:14][C:18]1=[CH:15][C@H:23]3[OH:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 6