(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al

Properties Image MNX_ID MNXM1174 reference metacycM:CPD-10587 formula C27H46O3 global charge 0 mol weight 418.662 InChIKey YWGOKHMOJTZGBN-WKNWCLFJSA-N InChI InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 SMILES C[C@H](CCC[C@@H](C)C=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]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:17]([CH2:6][CH2:5][CH2:7][C@@H:18]([CH3:2])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@H:25]3[C@H:23]([CH2:11][CH2:13][C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:12][CH2:10][C@@H:20]([OH:29])[CH2:14][C@H:19]1[CH2:15][C@H:24]3[OH:30])[CH:16]=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 10