1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-eicosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM137566 reference slm:000226915 formula C63H104O6 global charge 0 mol weight 957.519 InChIKey BTYYWBNWBIXRST-VZPOCRQRSA-N InChI InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,31,33-34,38,40-41,43,47,50,60H,4-6,8-9,11-15,17,20,22-24,26,29-30,32,35-37,39,42,44-46,48-49,51-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-,50-47-/t60-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44]/[CH:47]=[CH:50]\[CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37]/[CH:34]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66]

Parent-child relations graph

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