DG(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)[iso2]

Properties Image MNX_ID MNXM104471 reference chebi:178740 formula C44H72O5 global charge 0 mol weight 681.055 InChIKey GVDWHUXJHYSGAZ-GDEIQWSKSA-N InChI InChI=1S/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,27,29,33,35,42,45H,3-4,6,8-10,12,14-16,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b7-5-,13-11-,19-17-,23-22-,24-20-,29-27-,35-33-/t42-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCCC MNX internals InChI (mnx) InChI=1/C44H72O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-24,27,29,33,35,42,45H,3-4,6,8-10,12,14-16,18,21,25-26,28,30-32,34,36-41H2,1-2H3/b7-5-,13-11-,19-17-,23-22-,24-20-,29-27-,35-33-/t42-/m0/s1 SMILES (mnx) [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][C:44](=[O:47])[O:49][C@@H:42]([CH2:40][OH:45])[CH2:41][O:48][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:24]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:46]

Parent-child relations graph

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