1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-pentadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol

Properties Image MNX_ID MNXM136448 reference slm:000180402 formula C58H102O6 global charge 0 mol weight 895.448 InChIKey MQPBTMPNVFAWSG-GBEIIIRWSA-N InChI InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h16,19,25-27,29-31,34,37,55H,4-15,17-18,20-24,28,32-33,35-36,38-54H2,1-3H3/b19-16-,27-25-,30-29-,31-26-,37-34-/t55-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32]/[CH:34]=[CH:37]\[CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:36][CH2:33]/[CH:31]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61]

Parent-child relations graph

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