1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-1D-myo-inositol-3-phosphate

Properties Image MNX_ID MNXM176502 reference slm:000456410 formula C45H77O16P2 global charge -3 mol weight 936.043 InChIKey LJVKYBOCYGSTNZ-AYDMRKKXSA-K InChI InChI=1S/C45H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11-14,17-20,37,40-45,48-51H,3-10,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3/b13-11-,14-12-,19-17-,20-18-/t37-,40+,41+,42-,43-,44-,45+/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C45H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)57-35-37(59-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h11-14,17-20,37,40-45,48-51H,3-10,15-16,21-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b13-11-,14-12-,19-17-,20-18-/t37-,40+,41+,42-,43-,44-,45+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:46])[O:57][CH2:35][C@H:37]([CH2:36][O:58][P:63]([OH:55])(=[O:56])[O:61][C@H:45]1[C@H:42]([OH:50])[C@@H:40]([OH:48])[C@H:41]([OH:49])[C@@H:44]([O:60][P:62]([OH:52])([OH:53])=[O:54])[C@H:43]1[OH:51])[O:59][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47]

Parent-child relations graph

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