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1-(11-methyldodecanoyl)-2-(11Z-eicosenoyl)-3-eicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM186032 Image of MNXM186032
referenceslm:000168286
formulaC56H106O6
global charge0
mol weight875.458
InChIKeyDWWZLLSTVWYMNM-BYFPNFDUSA-N
InChIInChI=1S/C56H106O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-37-33-34-38-42-46-52(3)4)62-56(59)49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h20,22,52-53H,5-19,21,23-51H2,1-4H3/b22-20-/t53-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C56H106O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-37-33-34-38-42-46-52(3)4)62-56(59)49-45-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h20,22,52-53H,5-19,21,23-51H2,1-4H3/b22-20-/t53-/m0/s1 Image of MNXM186032
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][CH2:50][C@@H:53]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH:52]([CH3:3])[CH3:4])=[O:58])[O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:36][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59]
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:000168286
slm:000168286
DWWZLLSTVWYMNM-BYFPNFDUSA-N
1-(11-methyldodecanoyl)-2-(11Z-eicosenoyl)-3-eicosanoyl-sn-glycerol
TG(13:0/20:1(11Z)/20:0)
Triacylglycerol (13:0/20:1(11Z)/20:0)