1-(15-methylhexadecanoyl)-2-(9Z,12Z-hexadecadienoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM229698 reference slm:000148981 formula C54H94O6 global charge 0 mol weight 839.34 InChIKey MEFNKQHSAYEMAI-VVDKEHOZSA-N InChI InChI=1S/C54H94O6/c1-5-7-9-11-13-15-17-19-20-22-25-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-31-26-21-18-16-14-12-10-8-6-2)49-59-53(56)46-42-38-34-30-27-23-24-28-32-36-40-44-50(3)4/h7,9-10,12-13,15-16,18-20,50-51H,5-6,8,11,14,17,21-49H2,1-4H3/b9-7-,12-10-,15-13-,18-16-,20-19-/t51-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCC MNX internals InChI (mnx) InChI=1/C54H94O6/c1-5-7-9-11-13-15-17-19-20-22-25-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-31-26-21-18-16-14-12-10-8-6-2)49-59-53(56)46-42-38-34-30-27-23-24-28-32-36-40-44-50(3)4/h7,9-10,12-13,15-16,18-20,50-51H,5-6,8,11,14,17,21-49H2,1-4H3/b9-7-,12-10-,15-13-,18-16-,20-19-/t51-/m0/s1 SMILES (mnx) [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:22][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@@H:51]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:27][CH2:23][CH2:24][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:26][CH2:21]/[CH:18]=[CH:16]\[CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH3:2])=[O:57]

Parent-child relations graph

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