1-O-octadecyl-2-docosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM137679 reference slm:000204730 formula C61H114O5 global charge 0 mol weight 927.578 InChIKey DNBFQFXWSKRTGJ-GCPRVGKFSA-N InChI InChI=1S/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-/t59-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C61H114O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h18,21,27,33,39,42,59H,4-17,19-20,22-26,28-32,34-38,40-41,43-58H2,1-3H3/b21-18-,33-27-,42-39-/t59-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:63])[O:66][C@H:59]([CH2:57][O:64][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:58][O:65][C:60]([CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62]

Parent-child relations graph

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