1-heptadecanoyl-2-(13-methyltetradecanoyl)-3-dodecanoyl-sn-glycerol

Properties Image MNX_ID MNXM360344 reference slm:000128531 formula C47H90O6 global charge 0 mol weight 751.231 InChIKey HXEJSNXNAZLAJB-SJARJILFSA-N InChI InChI=1S/C47H90O6/c1-5-7-9-11-13-15-16-17-18-19-23-27-31-35-39-46(49)52-42-44(41-51-45(48)38-34-30-26-21-14-12-10-8-6-2)53-47(50)40-36-32-28-24-20-22-25-29-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m0/s1 SMILES CCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C47H90O6/c1-5-7-9-11-13-15-16-17-18-19-23-27-31-35-39-46(49)52-42-44(41-51-45(48)38-34-30-26-21-14-12-10-8-6-2)53-47(50)40-36-32-28-24-20-22-25-29-33-37-43(3)4/h43-44H,5-42H2,1-4H3/t44-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][C:46](=[O:49])[O:52][CH2:42][C@H:44]([CH2:41][O:51][C:45]([CH2:38][CH2:34][CH2:30][CH2:26][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:48])[O:53][C:47]([CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:20][CH2:22][CH2:25][CH2:29][CH2:33][CH2:37][CH:43]([CH3:3])[CH3:4])=[O:50]

Parent-child relations graph

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