3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestan-26-oic acid

Properties Image MNX_ID MNXM27329 reference lipidmapsM:LMST04030073 formula C27H46O6 global charge 0 mol weight 466.659 InChIKey UKKPOQGJXJMCOL-ABEGGTNMSA-N InChI InChI=1S/C27H46O6/c1-15(6-5-10-26(3,33)24(31)32)18-7-8-19-23-20(14-22(30)27(18,19)4)25(2)11-9-17(28)12-16(25)13-21(23)29/h15-23,28-30,33H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,22+,23+,25+,26?,27-/m1/s1 SMILES C[C@H](CCCC(C)(O)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/c1-15(6-5-10-26(3,33)24(31)32)18-7-8-19-23-20(14-22(30)27(18,19)4)25(2)11-9-17(28)12-16(25)13-21(23)29/h15-23,28-30,33H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,22+,23+,25+,26?,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:15]([CH2:6][CH2:5][CH2:10][C:26]([CH3:3])([C:24](=[O:31])[OH:32])[OH:33])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@H:23]3[C@H:20]([CH2:14][C@H:22]([OH:30])[C@:27]12[CH3:4])[C@@:25]1([CH3:2])[CH2:11][CH2:9][C@@H:17]([OH:28])[CH2:12][C@H:16]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