1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM209797 reference slm:000031058 formula C55H96NO8P global charge 0 mol weight 930.346 InChIKey KSNUGACRCNSAPW-SWJDDJSTSA-N InChI InChI=1S/C55H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56)64-55(58)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,25-26,28-29,53H,3-4,6,8-10,12,14-16,21,24,27,30-52,56H2,1-2H3,(H,59,60)/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-,29-28-/t53-/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-])OCC[NH3+])OC(=O)CCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C55H96NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56)64-55(58)48-46-44-42-40-38-36-34-31-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22-23,25-26,28-29,53H,3-4,6,8-10,12,14-16,21,24,27,30-52,56H2,1-2H3,(H,59,60)/b7-5-,13-11-,19-17-,20-18-,23-22-,26-25-,29-28-/t53-/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]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:57])[O:61][CH2:51][C@H:53]([CH2:52][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:50][CH2:49][NH2:56])[O:64][C:55]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:58]

Parent-child relations graph

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