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1-dodecanoyl-2-tridecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM109295 Image of MNXM109295
referenceslm:000129332
formulaC48H88O6
global charge0
mol weight761.226
InChIKeyALEYYAVXLWKCNV-ULVLSTAKSA-N
InChIInChI=1S/C48H88O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-30-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-29-20-17-14-11-8-5-2/h16,19,22-23,45H,4-15,17-18,20-21,24-44H2,1-3H3/b19-16-,23-22-/t45-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H88O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-30-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-18-15-12-9-6-3)54-48(51)42-39-36-33-29-20-17-14-11-8-5-2/h16,19,22-23,45H,4-15,17-18,20-21,24-44H2,1-3H3/b19-16-,23-22-/t45-/m1/s1 Image of MNXM109295
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51]
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:000129332
slm:000129332
ALEYYAVXLWKCNV-ULVLSTAKSA-N
1-dodecanoyl-2-tridecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG(12:0/13:0/20:2(11Z,14Z))
Triacylglycerol (12:0/13:0/20:2(11Z,14Z))

lipidmaps:LMGL03013196
lipidmapsM:LMGL03013196
ALEYYAVXLWKCNV-ULVLSTAKSA-N
TG(12:0/13:0/20:2(11Z,14Z))[iso6]
1-dodecanoyl-2-tridecanoyl-3-(11Z,14Z-eicosadienoyl)-sn-glycerol
TG 45:2
TG(12:0_13:0_20:2)
TG(45:2)