1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphate

Properties Image MNX_ID MNXM193274 reference slm:000021179 formula C49H81O8P global charge -2 mol weight 829.153 InChIKey TYLSDJMBJFHTLX-AZZWXMGKSA-L InChI InChI=1S/C49H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,25-26,47H,3-4,6,8-10,15-16,21,24,27-46H2,1-2H3,(H2,52,53,54)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t47-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C49H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-27-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22-23,25-26,47H,3-4,6,8-10,15-16,21,24,27-46H2,1-2H3,(H2,52,53,54)/b7-5-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t47-/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:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:48](=[O:50])[O:55][CH2:45][C@H:47]([CH2:46][O:56][P:58]([OH:52])([OH:53])=[O:54])[O:57][C:49]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51]

Parent-child relations graph

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