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1,3-diheneicosanoyl-2-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM178858 Image of MNXM178858
referenceslm:000189167
formulaC58H112O6
global charge0
mol weight905.528
InChIKeyLEGRPIAQYUHQDI-UHFFFAOYSA-N
InChIInChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-38-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H112O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-38-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3 Image of MNXM178858
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][CH:55]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:40][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:38][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000189167
slm:000189167
LEGRPIAQYUHQDI-UHFFFAOYSA-N
1,3-diheneicosanoyl-2-tridecanoyl-sn-glycerol
TG(21:0/13:0/21:0)
Triacylglycerol (21:0/13:0/21:0)