saturated 1-archaetidyl-D-myo-inositol

Properties Image MNX_ID MNXM149188 reference chebi:74007 formula C49H98O11P global charge -1 mol weight 894.286 InChIKey JTCUWWRWFRHYJL-OFPJJYCCSA-M InChI InChI=1S/C49H99O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-54H,11-34H2,1-10H3,(H,55,56)/p-1/t37-,38-,39-,40-,41-,42-,43+,44-,45-,46+,47-,48-,49-/m1/s1 SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C MNX internals InChI (mnx) InChI=1/C49H99O11P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-57-33-43(34-59-61(55,56)60-49-47(53)45(51)44(50)46(52)48(49)54)58-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-54H,11-34H2,1-10H3,(H,55,56)/t37-,38-,39-,40-,41-,42-,43+,44-,45-,46+,47-,48-,49-/m1/s1 SMILES (mnx) [CH3:1][CH:35]([CH3:2])[CH2:17][CH2:11][CH2:19][C@@H:37]([CH3:5])[CH2:21][CH2:13][CH2:23][C@@H:39]([CH3:7])[CH2:25][CH2:15][CH2:27][C@@H:41]([CH3:9])[CH2:29][CH2:31][O:57][CH2:33][C@@H:43]([CH2:34][O:59][P:61]([OH:55])(=[O:56])[O:60][C@@H:49]1[C@H:47]([OH:53])[C@H:45]([OH:51])[C@@H:44]([OH:50])[C@H:46]([OH:52])[C@H:48]1[OH:54])[O:58][CH2:32][CH2:30][C@H:42]([CH3:10])[CH2:28][CH2:16][CH2:26][C@H:40]([CH3:8])[CH2:24][CH2:14][CH2:22][C@H:38]([CH3:6])[CH2:20][CH2:12][CH2:18][CH:36]([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0