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1-heneicosanoyl-2-nonadecanoyl-3-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM359284 Image of MNXM359284
referenceslm:000169781
formulaC56H108O6
global charge0
mol weight877.474
InChIKeyGXZCCMRDHJDYEX-DTSDQNDWSA-N
InChIInChI=1S/C56H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H108O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1 Image of MNXM359284
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][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])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:30][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][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:000169781
slm:000169781
GXZCCMRDHJDYEX-DTSDQNDWSA-N
1-heneicosanoyl-2-nonadecanoyl-3-tridecanoyl-sn-glycerol
TG(21:0/19:0/13:0)
Triacylglycerol (21:0/19:0/13:0)
hmdb:HMDB0098361
GXZCCMRDHJDYEX-DTSDQNDWSA-N
TG(13:0/19:0/21:0)
(2S)-2-(nonadecanoyloxy)-3-(tridecanoyloxy)propyl henicosanoate
1-animal fats-2-nonadecanoyl-3-heneicosyloyl-glycerol
1-tridecyloyl-2-nonadecanoyl-3-heneicosyloyl-glycerol
TAG(13:0/19:0/21:0)
TAG(53:0)
TG(53:0)
Tracylglycerol(13:0/19:0/21:0)
Tracylglycerol(53:0)
Triacylglycerol
Triglyceride

hmdb:HMDB98361
secondary/obsolete/fantasy identifier