1-(13-methyltetradecanoyl)-2-tridecanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol

Properties Image MNX_ID MNXM215655 reference slm:000135210 formula C51H88O6 global charge 0 mol weight 797.259 InChIKey VKHKEFBMVYLFRP-VDEVHVBISA-N InChI InChI=1S/C51H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-27-30-34-38-42-49(52)55-45-48(57-51(54)44-40-36-32-26-16-14-12-10-8-6-2)46-56-50(53)43-39-35-31-28-24-25-29-33-37-41-47(3)4/h7,9,13,15,18-19,21-22,27,30,47-48H,5-6,8,10-12,14,16-17,20,23-26,28-29,31-46H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,30-27-/t48-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C51H88O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-27-30-34-38-42-49(52)55-45-48(57-51(54)44-40-36-32-26-16-14-12-10-8-6-2)46-56-50(53)43-39-35-31-28-24-25-29-33-37-41-47(3)4/h7,9,13,15,18-19,21-22,27,30,47-48H,5-6,8,10-12,14,16-17,20,23-26,28-29,31-46H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,30-27-/t48-/m0/s1 SMILES (mnx) [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:27]=[CH:30]\[CH2:34][CH2:38][CH2:42][C:49](=[O:52])[O:55][CH2:45][C@@H:48]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:28][CH2:24][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH:47]([CH3:3])[CH3:4])=[O:53])[O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:54]

Parent-child relations graph

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