(4R)-4-hydroxy-N-[(2R)-2-hydroxy-very-long-chain-acyl]-1-O-[(1D-myo-inositol-1-O-yl)hydroxyphosphoryl]sphinganine

Properties Image MNX_ID MNXM738382 reference metacycM:IPC formula C47H91NO13P*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC[*] MNX internals InChI (mnx) InChI=1/C49H98NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(52)49(59)50-39(38-62-64(60,61)63-48-46(57)44(55)43(54)45(56)47(48)58)42(53)40(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-48,51-58H,3-38H2,1-2H3,(H,50,59)(H,60,61)/t39-,40+,41-,42-,43-,44-,45+,46+,47+,48-/m0/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@@H:41]([C:49](=[N:50][C@@H:39]([CH2:38][O:62][P:64]([OH:60])(=[O:61])[O:63][C@H:48]1[C@H:46]([OH:57])[C@@H:44]([OH:55])[C@H:43]([OH:54])[C@@H:45]([OH:56])[C@H:47]1[OH:58])[C@@H:42]([C@@H:40]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][13CH3:2])[OH:51])[OH:53])[OH:59])[OH:52]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0