3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid

Properties Image MNX_ID MNXM36904 reference chebi:173178 formula C26H42O5 global charge 0 mol weight 434.617 InChIKey QOSXDERODNPQLN-WAYHEFBISA-N InChI InChI=1S/C26H42O5/c1-15(6-4-5-7-23(30)31)18-8-9-19-24-20(14-22(29)26(18,19)3)25(2)11-10-17(27)12-16(25)13-21(24)28/h4-5,15-22,24,27-29H,6-14H2,1-3H3,(H,30,31)/b5-4+/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 SMILES C[C@H](C/C=C/CC(=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/C26H42O5/c1-15(6-4-5-7-23(30)31)18-8-9-19-24-20(14-22(29)26(18,19)3)25(2)11-10-17(27)12-16(25)13-21(24)28/h4-5,15-22,24,27-29H,6-14H2,1-3H3,(H,30,31)/b5-4+/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:6]/[CH:4]=[CH:5]/[CH2:7][C:23](=[O:30])[OH:31])[C@H:18]1[CH2:8][CH2:9][C@H:19]2[C@H:24]3[C@H:20]([CH2:14][C@H:22]([OH:29])[C@:26]12[CH3:3])[C@@:25]1([CH3:2])[CH2:11][CH2:10][C@@H:17]([OH:27])[CH2:12][C@H:16]1[CH2:13][C@H:21]3[OH:28]

Parent-child relations graph

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