24E-ethylidene-cholest-5-en-3beta-yl beta-D-glucopyranoside

Properties Image MNX_ID MNXM28524 reference lipidmapsM:LMST01040201 formula C35H58O6 global charge 0 mol weight 574.843 InChIKey FHEBKVQDISXEGI-WZNLQWMPSA-N InChI InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+/t21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 SMILES C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h7,10,20-21,24-33,36-39H,8-9,11-19H2,1-6H3/b22-7+/t21-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 SMILES (mnx) [CH3:1]/[CH:7]=[C:22](\[CH2:9][CH2:8][C@@H:21]([CH3:4])[C@H:26]1[CH2:12][CH2:13][C@H:27]2[C@@H:25]3[CH2:11][CH:10]=[C:23]4[CH2:18][C@@H:24]([O:40][C@H:33]5[C@H:32]([OH:39])[C@@H:31]([OH:38])[C@H:30]([OH:37])[C@@H:29]([CH2:19][OH:36])[O:41]5)[CH2:14][CH2:16][C@:34]4([CH3:5])[C@H:28]3[CH2:15][CH2:17][C@:35]12[CH3:6])[CH:20]([CH3:2])[CH3:3]

Parent-child relations graph

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