a 1-phosphatidyl-1D-myo-inositol 4-phosphate

Properties Image MNX_ID MNXM727358 reference metacycM:CPD-1108 formula C11H15O16P2*2 global charge -3 mol weight   InChIKey   InChI   SMILES [*]C(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)OC([*])=O MNX internals InChI (mnx) InChI=1/C13H24O16P2/c1-5(14)25-3-7(27-6(2)15)4-26-31(23,24)29-13-10(18)8(16)12(9(17)11(13)19)28-30(20,21)22/h7-13,16-19H,3-4H2,1-2H3,(H,23,24)(H2,20,21,22)/t7-,8-,9+,10-,11-,12+,13+/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:5](=[O:14])[O:25][CH2:3][C@H:7]([CH2:4][O:26][P:31]([OH:23])(=[O:24])[O:29][C@H:13]1[C@H:10]([OH:18])[C@@H:8]([OH:16])[C@H:12]([O:28][P:30]([OH:20])([OH:21])=[O:22])[C@@H:9]([OH:17])[C@H:11]1[OH:19])[O:27][C:6]([13CH3:2])=[O:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0