1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z,12Z-octadecadienoyl)-3-octadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM135218 reference slm:000207459 formula C61H102O6 global charge 0 mol weight 931.481 InChIKey HHLFQZIIXPUFCA-KIZDZYDBSA-N InChI InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/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)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30-31,33,36,39,45,48,58H,4-6,8-9,11-15,17,20,22-24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42]/[CH:45]=[CH:48]\[CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64]

Parent-child relations graph

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