1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)

Properties Image MNX_ID MNXM146035 reference chebi:83416 formula C25H43O22P4 global charge -7 mol weight 819.493 InChIKey ANFYVAHJWGJYAT-QLCNXWICSA-G InChI InChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/p-7/t17-,20+,21+,22-,23+,24-,25-/m1/s1 SMILES CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC MNX internals InChI (mnx) InChI=1/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/t17-,20+,21+,22-,23+,24-,25-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:18](=[O:26])[O:41][CH2:15][C@H:17]([CH2:16][O:42][P:51]([OH:39])(=[O:40])[O:47][C@@H:22]1[C@H:20]([OH:28])[C@H:23]([O:44][P:48]([OH:30])([OH:31])=[O:32])[C@@H:25]([O:46][P:50]([OH:36])([OH:37])=[O:38])[C@H:24]([O:45][P:49]([OH:33])([OH:34])=[O:35])[C@H:21]1[OH:29])[O:43][C:19]([CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:27]

Parent-child relations graph

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