(23Z)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrovitamin D3

Properties Image MNX_ID MNXM30710 reference lipidmapsM:LMST03020110 formula C27H40O3 global charge 0 mol weight 412.614 InChIKey DRNWXIXKGVAGPM-RMJAMEDKSA-N InChI InChI=1S/C27H40O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h6,10-12,14,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b14-6-,20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)C/C=C\C(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C27H40O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h6,10-12,14,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b14-6-,20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:8]/[CH:6]=[CH:14]\[C:26]([CH3:3])([CH3:4])[OH:30])[C:23]1=[CH:12][CH2:13][C@H:24]2/[C:20](=[CH:10]/[CH:11]=[C:21]3/[CH2:16][C@@H:22]([OH:28])[CH2:17][C@H:25]([OH:29])[C:19]3=[CH2:2])[CH2:9][CH2:7][CH2:15][C@:27]12[CH3:5]

Parent-child relations graph

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