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1-(11Z-octadecenoyl)-2-(11Z-eicosenoyl)-3-(11E-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM206508 Image of MNXM206508
referenceslm:000194182
formulaC59H108O6
global charge0
mol weight913.507
InChIKeyMBJRQXCNIPFXAS-VCVXIJOFSA-N
InChIInChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21+,28-25-/t56-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h20-21,23-25,28,56H,4-19,22,26-27,29-55H2,1-3H3/b23-20-,24-21+,28-25-/t56-/m1/s1 Image of MNXM206508
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60])[CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27]/[CH:24]=[CH: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:000194182
slm:000194182
MBJRQXCNIPFXAS-VCVXIJOFSA-N
1-(11Z-octadecenoyl)-2-(11Z-eicosenoyl)-3-(11E-octadecenoyl)-sn-glycerol
TG(18:1(11Z)/20:1(11Z)/18:1(11E))
Triacylglycerol (18:1(11Z)/20:1(11Z)/18:1(11E))