1-dodecanoyl-2-(9Z-tetradecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109350 reference slm:000127622 formula C47H82O6 global charge 0 mol weight 743.167 InChIKey AFFSAIPAHKQBQB-BLWWZHSPSA-N InChI InChI=1S/C47H82O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-23,44H,4-6,8-9,11-13,15,18,20-21,24-43H2,1-3H3/b10-7-,17-14-,19-16-,23-22-/t44-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCC MNX internals InChI (mnx) InChI=1/C47H82O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h7,10,14,16-17,19,22-23,44H,4-6,8-9,11-13,15,18,20-21,24-43H2,1-3H3/b10-7-,17-14-,19-16-,23-22-/t44-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:26][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:49])[O:52][CH2:43][C@@H:44]([CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:48])[O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:25][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:50]

Parent-child relations graph

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