TG(18:1(9Z)/14:1(9Z)/20:3(5Z,8Z,11Z))

Properties Image MNX_ID MNXM136421 reference chebi:171158 formula C55H96O6 global charge 0 mol weight 853.367 InChIKey SXSRTUPMLATBNN-WIKKIFFMSA-N InChI InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-29,31,36,39,52H,4-14,16-17,19-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1 SMILES CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24-26,28-29,31,36,39,52H,4-14,16-17,19-23,27,30,32-35,37-38,40-51H2,1-3H3/b18-15-,26-24-,28-25-,31-29-,39-36-/t52-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:31]\[CH2:34]/[CH:36]=[CH:39]\[CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30]/[CH:28]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:58]

Parent-child relations graph

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