1-(9Z-hexadecenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphoethanolamine

Properties Image MNX_ID MNXM329484 reference slm:000034622 formula C53H92NO8P global charge 0 mol weight 902.292 InChIKey CMUOBMIYNZIXIJ-UDYUOFMBSA-N InChI InChI=1S/C53H92NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-53(56)62-51(50-61-63(57,58)60-48-47-54)49-59-52(55)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,26-27,51H,3-4,6,8-10,12,15,19,22,25,28-50,54H2,1-2H3,(H,57,58)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)([O-])OCC[NH3+] MNX internals InChI (mnx) InChI=1/C53H92NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-53(56)62-51(50-61-63(57,58)60-48-47-54)49-59-52(55)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,23-24,26-27,51H,3-4,6,8-10,12,15,19,22,25,28-50,54H2,1-2H3,(H,57,58)/b7-5-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26-/t51-/m1/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:53](=[O:56])[O:62][C@H:51]([CH2:49][O:59][C:52]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55])[CH2:50][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:48][CH2:47][NH2:54]

Parent-child relations graph

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