3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-23E-cholestan-27-oic acid

Properties Image MNX_ID MNXM36902 reference chebi:186772 formula C27H44O6 global charge 0 mol weight 464.643 InChIKey YMJUBWSBLMHBSR-KJNWYSPNSA-N InChI InChI=1S/C27H44O6/c1-15(5-4-6-16(14-28)25(32)33)19-7-8-20-24-21(13-23(31)27(19,20)3)26(2)10-9-18(29)11-17(26)12-22(24)30/h4,6,15-24,28-31H,5,7-14H2,1-3H3,(H,32,33)/b6-4+/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 SMILES C[C@H](C/C=C/C(CO)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/C27H44O6/c1-15(5-4-6-16(14-28)25(32)33)19-7-8-20-24-21(13-23(31)27(19,20)3)26(2)10-9-18(29)11-17(26)12-22(24)30/h4,6,15-24,28-31H,5,7-14H2,1-3H3,(H,32,33)/b6-4+/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:5]/[CH:4]=[CH:6]/[CH:16]([CH2:14][OH:28])[C:25](=[O:32])[OH:33])[C@H:19]1[CH2:7][CH2:8][C@H:20]2[C@H:24]3[C@H:21]([CH2:13][C@H:23]([OH:31])[C@:27]12[CH3:3])[C@@:26]1([CH3:2])[CH2:10][CH2:9][C@@H:18]([OH:29])[CH2:11][C@H:17]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