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1,3-di-(9Z,12Z,15Z-octadecatrienoyl)-2-(6Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM178519 Image of MNXM178519
referenceslm:000168913
formulaC57H96O6
global charge0
mol weight877.389
InChIKeyOQLNIBSAHWCRGS-KPDJYBECSA-N
InChIInChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,36,39,54H,4-6,9,12-15,18,21-24,27,30-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,39-36-
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCC/C=C\CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C57H96O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,36,39,54H,4-6,9,12-15,18,21-24,27,30-35,37-38,40-53H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,39-36- Image of MNXM178519
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][CH:54]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60]
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:000168913
slm:000168913
OQLNIBSAHWCRGS-KPDJYBECSA-N
1,3-di-(9Z,12Z,15Z-octadecatrienoyl)-2-(6Z-octadecenoyl)-sn-glycerol
TG(18:3(9Z,12Z,15Z)/18:1(6Z)/18:3(9Z,12Z,15Z))
Triacylglycerol (18:3(9Z,12Z,15Z)/18:1(6Z)/18:3(9Z,12Z,15Z))