1-acetyl-2-butanoyl-sn-glycero-3-phospho-1D-myo-inositol-5-phosphate

Properties Image MNX_ID MNXM342999 reference slm:000437297 formula C15H25O16P2 global charge -3 mol weight 523.297 InChIKey SKGUYHIPMVECQN-QWHOGKPRSA-K InChI InChI=1S/C15H28O16P2/c1-3-4-9(17)29-8(5-27-7(2)16)6-28-33(25,26)31-15-12(20)10(18)11(19)14(13(15)21)30-32(22,23)24/h8,10-15,18-21H,3-6H2,1-2H3,(H,25,26)(H2,22,23,24)/p-3/t8-,10-,11-,12-,13-,14+,15-/m1/s1 SMILES CCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H28O16P2/c1-3-4-9(17)29-8(5-27-7(2)16)6-28-33(25,26)31-15-12(20)10(18)11(19)14(13(15)21)30-32(22,23)24/h8,10-15,18-21H,3-6H2,1-2H3,(H,25,26)(H2,22,23,24)/t8-,10-,11-,12-,13-,14+,15-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][C:9](=[O:17])[O:29][C@H:8]([CH2:5][O:27][C:7]([CH3:2])=[O:16])[CH2:6][O:28][P:33]([OH:25])(=[O:26])[O:31][C@@H:15]1[C@H:12]([OH:20])[C@H:10]([OH:18])[C@@H:11]([OH:19])[C@H:14]([O:30][P:32]([OH:22])([OH:23])=[O:24])[C@H:13]1[OH:21]

Parent-child relations graph

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