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1-docosanoyl-2-(11-methyldodecanoyl)-3-heneicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM346058 Image of MNXM346058
referenceslm:000198571
formulaC59H114O6
global charge0
mol weight919.555
InChIKeyBHJUEUJZBYIMLN-UWGNJQTFSA-N
InChIInChI=1S/C59H114O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-58(61)64-54-56(65-59(62)52-48-44-40-36-37-41-45-49-55(3)4)53-63-57(60)50-46-42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h55-56H,5-54H2,1-4H3/t56-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C59H114O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-51-58(61)64-54-56(65-59(62)52-48-44-40-36-37-41-45-49-55(3)4)53-63-57(60)50-46-42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h55-56H,5-54H2,1-4H3/t56-/m0/s1 Image of MNXM346058
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][CH2:33][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][C:58](=[O:61])[O:64][CH2:54][C@H:56]([CH2:53][O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:60])[O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:37][CH2:41][CH2:45][CH2:49][CH:55]([CH3:3])[CH3:4])=[O:62]
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:000198571
slm:000198571
BHJUEUJZBYIMLN-UWGNJQTFSA-N
1-docosanoyl-2-(11-methyldodecanoyl)-3-heneicosanoyl-sn-glycerol
TG(22:0/13:0/21:0)
Triacylglycerol (22:0/13:0/21:0)
hmdb:HMDB0065230
BHJUEUJZBYIMLN-UWGNJQTFSA-N
TG(21:0/i-13:0/22:0)
(2S)-3-(henicosanoyloxy)-2-[(11-methyldodecanoyl)oxy]propyl docosanoate
1-heneicosyloyl-2-isotridecanoyl-3-behenoyl-glycerol
1-heneicosyloyl-2-isotridecanoyl-3-docosanoyl-glycerol
TG(56:0)
Tag(21:0/i-13:0/22:0)
Tag(56:0)
Tracylglycerol(21:0/i-13:0/22:0)
Tracylglycerol(56:0)
Triacylglycerol
Triacylglycerol(21:0/i-13:0/22:0)
Triacylglycerol(56:0)
Triglyceride

hmdb:HMDB65230
secondary/obsolete/fantasy identifier