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1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z,11E-octadecadienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM320364 Image of MNXM320364
referenceslm:000209167
formulaC61H104O6
global charge0
mol weight933.497
InChIKeyUQGQXPWJFSCOJO-GSGIGHCVSA-N
InChIInChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32-33,58H,4-7,9-10,12-15,18,22-23,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,32-26-,33-27-/t58-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C61H104O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-21,24-28,32-33,58H,4-7,9-10,12-15,18,22-23,29-31,34-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21+,28-25-,32-26-,33-27-/t58-/m1/s1 Image of MNXM320364
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@@H: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]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37]/[CH:33]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64]
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:000209167
slm:000209167
UQGQXPWJFSCOJO-GSGIGHCVSA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-(9Z,11E-octadecadienoyl)-3-(13Z,16Z-docosadienoyl)-sn-glycerol
TG(18:3(9Z,12Z,15Z)/18:2(9Z,11E)/22:2(13Z,16Z))
Triacylglycerol (18:3(9Z,12Z,15Z)/18:2(9Z,11E)/22:2(13Z,16Z))