1-acetyl-2-hexanoyl-sn-glycero-3-phospho-1D-myo-inositol

Properties Image MNX_ID MNXM343116 reference slm:000019028 formula C17H30O13P global charge -1 mol weight 473.388 InChIKey ORTFKXLZZMPUSI-ZGILYASISA-M InChI InChI=1S/C17H31O13P/c1-3-4-5-6-11(19)29-10(7-27-9(2)18)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h10,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/p-1/t10-,12-,13-,14+,15-,16-,17-/m1/s1 SMILES CCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C17H31O13P/c1-3-4-5-6-11(19)29-10(7-27-9(2)18)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h10,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t10-,12-,13-,14+,15-,16-,17-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][C:11](=[O:19])[O:29][C@H:10]([CH2:7][O:27][C:9]([CH3:2])=[O:18])[CH2:8][O:28][P:31]([OH:25])(=[O:26])[O:30][C@@H:17]1[C@H:15]([OH:23])[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:14]([OH:22])[C@H:16]1[OH:24]

Parent-child relations graph

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