TG(20:1(11Z)/20:3(5Z,8Z,11Z)/O-18:0)

Properties Image MNX_ID MNXM139245 reference hmdb:HMDB0050546 formula C61H112O5 global charge 0 mol weight 925.562 InChIKey XGZIYXWMBQUNLC-ZIYYXOBBSA-N InChI InChI=1S/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,59H,4-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b28-25-,29-26-,37-34-,46-43-/t59-/m1/s1 SMILES CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C61H112O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h25-26,28-29,34,37,43,46,59H,4-24,27,30-33,35-36,38-42,44-45,47-58H2,1-3H3/b28-25-,29-26-,37-34-,46-43-/t59-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:62])[O:65][CH2:58][C@@H:59]([CH2:57][O:64][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[O:66][C:61]([CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:34]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63]

Parent-child relations graph

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