20:2 Campesterol ester

Properties Image Occurences in reactions MNX_ID MNXM150676 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C48H82O2 charge 0 mass 690.63148 reference lipidmapsM:LMST01020078 InChIKey JMZUXJNBQPJJAT-CKSJQWPNSA-N InChI InChI=1S/C48H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-46(49)50-41-32-34-47(6)40(36-41)28-29-42-44-31-30-43(48(44,7)35-33-45(42)47)39(5)27-26-38(4)37(2)3/h12-13,15-16,28,37-39,41-45H,8-11,14,17-27,29-36H2,1-7H3/b13-12-,16-15-/t38-,39-,41+,42+,43-,44+,45+,47+,48-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1

Parent-child relations graph

Deprecated MNXref IDs graph