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1,3-di-(9Z-octadecenoyl)-2-dodecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM178672 Image of MNXM178672
referenceslm:000136937
formulaC51H94O6
global charge0
mol weight803.307
InChIKeyHEJLGACLDVGADK-YPAXQUSRSA-N
InChIInChI=1S/C51H94O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,48H,4-22,27-47H2,1-3H3/b25-23-,26-24-
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H94O6/c1-4-7-10-13-16-19-21-23-25-27-29-32-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-31-18-15-12-9-6-3)47-56-50(53)44-41-38-35-33-30-28-26-24-22-20-17-14-11-8-5-2/h23-26,48H,4-22,27-47H2,1-3H3/b25-23-,26-24- Image of MNXM178672
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][CH:48]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:31][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54]
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:000136937
slm:000136937
HEJLGACLDVGADK-YPAXQUSRSA-N
1,3-di-(9Z-octadecenoyl)-2-dodecanoyl-sn-glycerol
TG(18:1(9Z)/12:0/18:1(9Z))
Triacylglycerol (18:1(9Z)/12:0/18:1(9Z))