1-(13Z-docosenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

Properties Image MNX_ID MNXM124707 reference slm:000126637 formula C47H82O5 global charge 0 mol weight 727.168 InChIKey KMAWADMXBHSFOG-UAXRITQPSA-N InChI InChI=1S/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C47H82O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,29,31,45,48H,3-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:49])[O:51][CH2:43][C@@H:45]([CH2:44][O:52][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[OH:48]

Parent-child relations graph

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