2,3-bis-O-phytanyl-sn-glycero-1-phosphoethanolamine

Properties Image MNX_ID MNXM6673 reference metacycM:CPD-15258 formula C45H94NO6P global charge 0 mol weight 776.222 InChIKey YCISYUZWCSTBCY-FQWNWDHISA-N InChI InChI=1S/C45H94NO6P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-32-49-35-45(36-52-53(47,48)51-34-31-46)50-33-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-45H,11-36,46H2,1-10H3,(H,47,48)/t39-,40-,41-,42-,43-,44-,45+/m1/s1 SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)([O-])OCC[NH3+])OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C MNX internals InChI (mnx) InChI=1/C45H94NO6P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-32-49-35-45(36-52-53(47,48)51-34-31-46)50-33-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-45H,11-36,46H2,1-10H3,(H,47,48)/t39-,40-,41-,42-,43-,44-,45+/m1/s1 SMILES (mnx) [CH3:1][CH:37]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:39]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:41]([CH3:7])[CH2:25][CH2:15][CH2:27][C@@H:43]([CH3:9])[CH2:29][CH2:32][O:49][CH2:35][C@@H:45]([CH2:36][O:52][P:53]([OH:47])(=[O:48])[O:51][CH2:34][CH2:31][NH2:46])[O:50][CH2:33][CH2:30][C@H:44]([CH3:10])[CH2:28][CH2:16][CH2:26][C@H:42]([CH3:8])[CH2:24][CH2:14][CH2:22][C@H:40]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:38]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 4