TG(13:0/14:1(9Z)/18:3(6Z,9Z,12Z))[iso6]

Properties Image MNX_ID MNXM109876 reference chebi:196850 formula C48H84O6 global charge 0 mol weight 757.194 InChIKey CMHJLOROYLSPMA-PSOQCHHBSA-N InChI InChI=1S/C48H84O6/c1-4-7-10-13-16-19-22-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-20-17-14-11-8-5-2/h14,16-17,19,23-24,27,29,45H,4-13,15,18,20-22,25-26,28,30-44H2,1-3H3/b17-14-,19-16-,24-23-,29-27-/t45-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C48H84O6/c1-4-7-10-13-16-19-22-23-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-20-17-14-11-8-5-2/h14,16-17,19,23-24,27,29,45H,4-13,15,18,20-22,25-26,28,30-44H2,1-3H3/b17-14-,19-16-,24-23-,29-27-/t45-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:51]

Parent-child relations graph

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