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

Properties Image MNX_ID MNXM137456 reference slm:000150168 formula C55H100O5 global charge 0 mol weight 841.4 InChIKey NCNJXZRYCWFABR-ISASFKGUSA-N InChI InChI=1S/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,53H,4-16,18-19,22-23,25,27,29-32,34-35,37-52H2,1-3H3/b20-17-,24-21-,28-26-,36-33-/t53-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC MNX internals InChI (mnx) InChI=1/C55H100O5/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-50-58-51-53(60-55(57)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)52-59-54(56)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,28,33,36,53H,4-16,18-19,22-23,25,27,29-32,34-35,37-52H2,1-3H3/b20-17-,24-21-,28-26-,36-33-/t53-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][O:58][CH2:51][C@H:53]([CH2:52][O:59][C:54]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:33]\[CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:60][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57]

Parent-child relations graph

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