1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z-hexadecenoyl)-sn-glycerol

Properties Image MNX_ID MNXM134530 reference slm:000154645 formula C55H94O6 global charge 0 mol weight 851.351 InChIKey PQHJIINABGQWDK-QNHVSPPMSA-N InChI InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,52H,4-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,33,36,52H,4-15,18,22-23,29-32,34-35,37-51H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,36-33-/t52-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]

Parent-child relations graph

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