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1-(9Z-octadecenoyl)-2-(13Z-docosenoyl)-3-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM332724 Image of MNXM332724
referenceslm:000166558
formulaC56H104O6
global charge0
mol weight873.442
InChIKeyQSYHQORQPAQLHS-RIXGMQNVSA-N
InChIInChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,53H,4-23,27-29,31-52H2,1-3H3/b26-24-,30-25-/t53-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-30-25-23-20-17-14-11-8-5-2/h24-26,30,53H,4-23,27-29,31-52H2,1-3H3/b26-24-,30-25-/t53-/m0/s1 Image of MNXM332724
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:30]=[CH:25]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]
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:000166558
slm:000166558
QSYHQORQPAQLHS-RIXGMQNVSA-N
1-(9Z-octadecenoyl)-2-(13Z-docosenoyl)-3-tridecanoyl-sn-glycerol
TG(18:1(9Z)/22:1(13Z)/13:0)
Triacylglycerol (18:1(9Z)/22:1(13Z)/13:0)