TG(20:0/O-18:0/18:3(9Z,12Z,15Z))

Properties Image MNX_ID MNXM138925 reference hmdb:HMDB0046250 formula C59H110O5 global charge 0 mol weight 899.524 InChIKey NJTWVKFGCXPXRU-NMAUIBPZSA-N InChI InChI=1S/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-/t57-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C59H110O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-56-57(62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)55-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h9,12,18,21,27,31,57H,4-8,10-11,13-17,19-20,22-26,28-30,32-56H2,1-3H3/b12-9-,21-18-,31-27-/t57-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:61])[O:64][CH2:56][C@@H:57]([CH2:55][O:63][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:60])[O:62][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2]

Parent-child relations graph

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