(6S)-vitamin D3 6,19-sulfur dioxide adduct / (6S)-cholecalciferol 6,19-sulfur dioxide adduct

Properties Image Occurences in reactions MNX_ID MNXM115201 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C27H44O3S charge 0 mass 448.30112 reference lipidmapsM:LMST03020251 InChIKey HPBJDQZFOWHNAQ-QXHKUGGASA-N InChI InChI=1S/C27H44O3S/c1-18(2)7-5-8-19(3)24-12-13-25-20(9-6-14-27(24,25)4)15-26-23-16-22(28)11-10-21(23)17-31(26,29)30/h15,18-19,22,24-26,28H,5-14,16-17H2,1-4H3/b20-15+/t19-,22+,24-,25+,26+,27-/m1/s1 SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O)C4)CS3(=O)=O)CCC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph