3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid

Properties Image MNX_ID MNXM36911 reference chebi:190386 formula C27H46O5 global charge 0 mol weight 450.66 InChIKey QZONSSHZQMQWEL-CQXSIBMESA-N InChI InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)24-22(30)14-20-23-19(9-11-27(20,24)4)26(3)10-8-18(28)12-17(26)13-21(23)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19+,20+,21-,22-,23-,24+,26+,27+/m1/s1 SMILES CC(CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O MNX internals InChI (mnx) InChI=1/C27H46O5/c1-15(6-5-7-16(2)25(31)32)24-22(30)14-20-23-19(9-11-27(20,24)4)26(3)10-8-18(28)12-17(26)13-21(23)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19+,20+,21-,22-,23-,24+,26+,27+/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:6][CH2:5][CH2:7][CH:16]([CH3:2])[C:25](=[O:31])[OH:32])[C@H:24]1[C@H:22]([OH:30])[CH2:14][C@H:20]2[C@H:23]3[C@H:19]([CH2:9][CH2:11][C@@:27]21[CH3:4])[C@@:26]1([CH3:3])[CH2:10][CH2:8][C@@H:18]([OH:28])[CH2:12][C@H:17]1[CH2:13][C@H:21]3[OH:29]

Parent-child relations graph

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