(25R)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid

Properties Image MNX_ID MNXM30770 reference lipidmapsM:LMST04030195 formula C27H46O6 global charge 0 mol weight 466.659 InChIKey FAYYTQMQTAKHRM-PTUWQDNKSA-N InChI InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16-,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1 SMILES C[C@H](CC[C@@H](O)[C@@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16-,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:14]([CH2:5][CH2:8][C@H:21]([C@@H:15]([CH3:2])[C:25](=[O:32])[OH:33])[OH:29])[C@H:18]1[CH2:6][CH2:7][C@H:19]2[C@H:24]3[C@H:20]([CH2:13][C@H:23]([OH:31])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:10][CH2:9][C@@H:17]([OH:28])[CH2:11][C@@H:16]1[CH2:12][C@H:22]3[OH:30]

Parent-child relations graph

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