1-(6Z,9Z,12Z,15Z,18Z-tetracosapentaenoyl)-2-dodecanoyl-3-tridecanoyl-sn-glycerol

Properties Image MNX_ID MNXM276622 reference slm:000138742 formula C52H90O6 global charge 0 mol weight 811.286 InChIKey ADLHWZSOUMGQKR-MOKZKSNWSA-N InChI InChI=1S/C52H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-32-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-20-17-14-11-8-5-2/h16,19,22-23,25-26,28-29,31,34,49H,4-15,17-18,20-21,24,27,30,32-33,35-48H2,1-3H3/b19-16-,23-22-,26-25-,29-28-,34-31-/t49-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-32-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-20-17-14-11-8-5-2/h16,19,22-23,25-26,28-29,31,34,49H,4-15,17-18,20-21,24,27,30,32-33,35-48H2,1-3H3/b19-16-,23-22-,26-25-,29-28-,34-31-/t49-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:31]=[CH:34]\[CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55]

Parent-child relations graph

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