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1,3-di-(9Z,11E-octadecadienoyl)-2-(13Z-docosenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM178364 Image of MNXM178364
referenceslm:000212951
formulaC61H108O6
global charge0
mol weight937.529
InChIKeyWJXGBMSAYCZNPB-BJIQZWRVSA-N
InChIInChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-28,32-33,58H,4-19,22,29-31,34-57H2,1-3H3/b23-20+,24-21+,28-25-,32-26-,33-27-
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C=C\CCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h20-21,23-28,32-33,58H,4-19,22,29-31,34-57H2,1-3H3/b23-20+,24-21+,28-25-,32-26-,33-27- Image of MNXM178364
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:26]\[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63]
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:000212951
slm:000212951
WJXGBMSAYCZNPB-BJIQZWRVSA-N
1,3-di-(9Z,11E-octadecadienoyl)-2-(13Z-docosenoyl)-sn-glycerol
TG(18:2(9Z,11E)/22:1(13Z)/18:2(9Z,11E))
Triacylglycerol (18:2(9Z,11E)/22:1(13Z)/18:2(9Z,11E))