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1,3-di-(9Z,12Z-hexadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM178547 Image of MNXM178547
referenceslm:000151277
formulaC55H88O6
global charge0
mol weight845.303
InChIKeyOKLPSYJBWDPKIV-LCLPDWRZSA-N
InChIInChI=1S/C55H88O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10-12,14-16,19-21,23-26,28,31,37,40,52H,4-6,8-9,13,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,14-11-,15-12-,19-16-,23-20-,24-21-,26-25-,31-28-,40-37-
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCC)COC(=O)CCCCCCC/C=C\C/C=C\CCC
MNX internals
InChI (mnx)InChI=1/C55H88O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2)51-60-54(57)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10-12,14-16,19-21,23-26,28,31,37,40,52H,4-6,8-9,13,17-18,22,27,29-30,32-36,38-39,41-51H2,1-3H3/b10-7-,14-11-,15-12-,19-16-,23-20-,24-21-,26-25-,31-28-,40-37- Image of MNXM178547
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:31]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29]/[CH:23]=[CH:20]\[CH2:17]/[CH:14]=[CH:11]\[CH2:8][CH2:5][CH3:2])=[O:56])[CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:57]
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:000151277
slm:000151277
OKLPSYJBWDPKIV-LCLPDWRZSA-N
1,3-di-(9Z,12Z-hexadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
TG(16:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:2(9Z,12Z))
Triacylglycerol (16:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:2(9Z,12Z))