1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4,5-trisphosphate

Properties Image MNX_ID MNXM209662 reference slm:000439763 formula C67H103O22P4 global charge -7 mol weight 1384.435 InChIKey PABGLDACXMBRDG-GXXPSCOESA-G InChI InChI=1S/C67H110O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)83-57-59(58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77)85-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-31,33-35,38,40,59,62-67,70-71H,3-4,9-10,15-16,21-22,27-28,32,36-37,39,41-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/p-7/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,35-33-,40-38-/t59-,62+,63+,64-,65+,66-,67-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=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)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC MNX internals InChI (mnx) InChI=1/C67H110O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-33-35-37-39-41-43-45-47-49-51-53-55-60(68)83-57-59(58-84-93(81,82)89-64-62(70)65(86-90(72,73)74)67(88-92(78,79)80)66(63(64)71)87-91(75,76)77)85-61(69)56-54-52-50-48-46-44-42-40-38-36-34-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-31,33-35,38,40,59,62-67,70-71H,3-4,9-10,15-16,21-22,27-28,32,36-37,39,41-58H2,1-2H3,(H,81,82)(H2,72,73,74)(H2,75,76,77)(H2,78,79,80)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,34-31-,35-33-,40-38-/t59-,62+,63+,64-,65+,66-,67-/m1/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:60](=[O:68])[O:83][CH2:57][C@H:59]([CH2:58][O:84][P:93]([OH:81])(=[O:82])[O:89][C@@H:64]1[C@H:62]([OH:70])[C@H:65]([O:86][P:90]([OH:72])([OH:73])=[O:74])[C@@H:67]([O:88][P:92]([OH:78])([OH:79])=[O:80])[C@H:66]([O:87][P:91]([OH:75])([OH:76])=[O:77])[C@H:63]1[OH:71])[O:85][C:61]([CH2:56][CH2:54][CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42]/[CH:40]=[CH:38]\[CH2:36]/[CH:34]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:69]

Parent-child relations graph

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