3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid

Properties Image MNX_ID MNXM27705 reference chebi:173205 formula C27H46O4 global charge 0 mol weight 434.661 InChIKey VSWJQUMFNWOZBT-TTZQJLNSSA-N InChI InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18-,19-,20+,21-,22+,23+,24+,26+,27-/m1/s1 SMILES CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O MNX internals InChI (mnx) InChI=1/C27H46O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18-,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:21]1[CH2:10][CH2:11][C@H:22]2[C@@H:20]3[CH2:9][CH2:8][C@@H:18]4[CH2:14][C@H:19]([OH:28])[CH2:12][CH2:13][C@:26]4([CH3:3])[C@H:23]3[CH2:15][C@H:24]([OH:29])[C@:27]12[CH3:4]

Parent-child relations graph

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